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Creative Commons Attribution-ShareAlike 3.0 United States Inherent Properties, Identifiers and References
ChemSpider ID: 54925
Empirical Formula: C12H8Cl6O
Molecular Weight: 380.9093
Nominal Mass: 378 Da
Average Mass: 380.9093 Da
Monoisotopic Mass: 377.870631 Da
Systematic Name:
SMILES: Cl\C1=C(/Cl)[C@]2(Cl)C3[C@H]4C[C@@H](C3[C@]1(Cl)C2(Cl)Cl)C5OC45
InChI: InChI=1/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15​)12(11,17)18/h2-7H,1H2/t2-,3+,4?,5?,6?,7?,10-,11-/m1/s1
InChIKey: DFBKLUNHFCTMDC-UHRHITOZBI
Creative Commons Attribution-ShareAlike 3.0 United States (Details...) Original Reference(s)
Creative Commons Attribution-ShareAlike 3.0 United States Disclaimer (Details...) Supplemental Information
(Details...) Names and Synonyms Creative Commons Attribution-ShareAlike 3.0 United States

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

(1aalpha,2​beta,2aalp​ha,3beta,6​beta,6aalp​ha,7beta,7​aalpha)-3,​4,5,6,9,9-​hexachloro​-1a,2,2a,3​,6,6a,7,7a​-octahydro​-2,7:3,6-d​imethanona​phth(2,3-b​)oxirene
(1R,4S,4aS​,5R,6R,7S,​8S,8aR)-1,​2,3,4,10,1​0-Hexachlo​ro-1,4,4a,​5,6,7,8,8a​-octahydro​-6,7-epoxy​-1,4:5,8-d​imethanona​phthalene
1,2,3,4,10,10-Hexachloro-1R,4S,4aS,5R,6R,7S,8S,8aR-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene
1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo-1,4-exo-5,8-dimethanonaphthalene
1,4:5,8-Di​methanonap​hthalene, ​1,2,3,4,10​,10-hexach​loro-6,7-e​poxy-1,4,4​a,5,6,7,8,​8a-octahyd​ro, endo,e​xo-
1,4:5,8-Di​methanonap​hthalene, ​1,2,3,4,10​,10-hexach​loro-6,7-e​poxy-1,4,4​a,5,6,7,8,​8a-octahyd​ro-, endo,​exo-
1,8,9,10,1​1,11-Hexac​hloro-4,5-​exo epoxy-​2,3-7,6-en​do-2,1-7,8​-exo-tetra​cyclo(6.2.​1.1 3,6.0 ​2,7)dodec-​9-ene
12622-75-2[RN]
17301-10-9[RN]
200-484-5[EINECS]
3,4,5,6,9,9-Hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth(2,3-b)oxirene
3039-00-7[RN]
33648-22-5[RN]
59029-57-1[RN]
60-57-1[RN]
Aldrin epoxide
Alvit
Dieldren
Dieldrex
Dieldrin [BAN:INN]
Dieldrin [BSI:ISO]
Dieldrina[Spanish]
Dieldrine[French]
Dieldrinum[Latin]
Dieldrite
Dielmoth
Dildrin
Dorytox
endo,exo-3,4,5,6,9,9-Hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethenapth(2,3-b)oxirene
exo-Dieldrin
HEOD [BSI:ISO]
Hexachloroepoxyoctahydro-endo,exo-dimethanonaphthalene
Illoxol
Insecticide No. 497
Insectlack
Kombi-Albertan
Moth Snub D
NA2761
Octalox
Panoram D-31
Red Shield
Shelltox
Termitox
(Details...) Database ID(s) Creative Commons Attribution-ShareAlike 3.0 United States

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

AI3-16225
Alvit 55
C13718
Caswell No. 333
CCRIS 233
ENT 16,225
EPA Pesticide Chemical Code 045001
HSDB 322
Latka 497[Czech]
NCI-C00124
NSC 8934
RCRA waste no. P037
RCRA waste number P037
SD 3417
(Details...) Predicted Properties
LogP: ACD/LogP: 4.88
XLogP: 3.00
# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 4.88 ACD/LogD (pH 7.4): 4.88
ACD/BCF (pH 5.5): 3003.73 ACD/BCF (pH 7.4): 3003.73
ACD/KOC (pH 5.5): 10737.53 ACD/KOC (pH 7.4): 10737.53
#H bond acceptors: 1 #H bond donors: 0
#Freely Rotating Bonds: 0 Polar Surface Area: 12.53 Å2
Index of Refraction: 1.676 Molar Refractivity: 77.48 cm3
Molar Volume: 205.9 cm3 Polarizability: 30.71 10-24cm3
Surface Tension: 60.2 dyne/cm Density: 1.84 g/cm3
Flash Point: 155.3 °C Enthalpy of Vaporization: 64.34 kJ/mol
Boiling Point: 416.2 °C at 760 mmHg Vapour Pressure: 9.43E-07 mmHg at 25°C
Creative Commons Attribution-ShareAlike 3.0 United States (Details...) SimBioSys LASSO
Descriptors: 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 6, 0, 2, 0, 0, 0, 0, 0, 2, 18, 0, 0
CategoryTargetPDB CodeLASSO Score
Nuclear Hormone ReceptorsGR, glucocorticoid receptor1m2z0.91
Nuclear Hormone ReceptorsAR, androgen receptor1xq20.76
Nuclear Hormone ReceptorsER, estrogen receptor; agonist1l2i0.44
Nuclear Hormone ReceptorsMR, mineralocorticoid receptor2aa20.15
Serine ProteasesFXa, factor Xa1f0r0.05
KinasesFGFr1, fibroblast growth factor receptor kinase1agw0.04
Nuclear Hormone ReceptorsPPARg, peroxisome proliferator activated receptor1fm90.03
Other EnzymesHIVRT, HIV reverse transcriptase1rt10.03
KinasesEGFr, epidermal growth factor receptor1m170.02
KinasesVEGFr2, vascular endothelial growth factor receptor1vr20.02
KinasesHSP90, human heat shock protein 901uy60.02
KinasesSRC, tyrosine kinase SRC2src0.01
Other EnzymesHMGR, hydroxymethylglutaryl-CoA reductase1hw80.01
Other EnzymesSAHH, S-adenosyl-homocysteine hydrolase1a7a0.01
Other EnzymesCOX-1, cyclooxygenase-11p4g0.01
Nuclear Hormone ReceptorsER, estrogen receptor; antagonist3ert0.01
Other EnzymesPNP, purine nucleoside phosphorylase1b8o0.01
MetalloenzymesPDE5, phosphodiesterase 51xp00.01
KinasesPDGFrb, platelet derived growth factor receptor kinaseN/A0.00
Other EnzymesALR2, aldose reductase1ah30.00
Folate EnzymesDHFR, dihydrofolate reductase3dfr0.00
Nuclear Hormone ReceptorsPR, progesterone receptor1sr70.00
Other EnzymesAmpC, AmpC beta-lactamase1xgj0.00
Other EnzymesGPB, glycogen phosphorylase1a8i0.00
Other EnzymesPARP, poly(ADP-ribose) polymerase1efy0.00
MetalloenzymesACE, angiotensin-converting enzyme1o860.00
Nuclear Hormone ReceptorsRXRa, retinoic X receptor R1mvc0.00
Other EnzymesInhA, enoyl ACP reductase1p440.00
Other EnzymesHIVPR, HIV protease1hpx0.00
KinasesTK, thymidine kinase1kim0.00
Other EnzymesAChE, acetylcholinesterase1eve0.00
Other EnzymesCOX-2, cyclooxygenase-21cx20.00
Folate EnzymesGART, glycinamide ribonucleotide transformylase1c2t0.00
Serine ProteasesThrombin1ba80.00
KinasesP38 MAP, P38 mitogen activated protein1kv20.00
Other EnzymesNA, neuraminidase1a4g0.00
KinasesCDK2, cyclindependent kinase 21ckp0.00
MetalloenzymesCOMT, catechol O-methyltransferase1h1d0.00
MetalloenzymesADA, adenosine deaminase1stw0.00
Serine ProteasesTrypsin1bju0.00
Creative Commons Attribution-ShareAlike 3.0 United States (Details...) Feedback
DateSeverityStatusFeedback
3/30/2008 5:16:48 PMNormalNewDifferent wedge bonds at positions 1 and 4 ???