ChemSpider 2D Image | syn-labda-8(17),12E,14-triene | C20H32

syn-labda-8(17),12E,14-triene

  • Molecular FormulaC20H32
  • Average mass272.468 Da
  • Monoisotopic mass272.250397 Da
  • ChemSpider ID26606390

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(4aS,5R,8aS)-1,1,4a-Trimethyl-6-methylen-5-[(2E)-3-methyl-2,4-pentadien-1-yl]decahydronaphthalin [German] [ACD/IUPAC Name]
(4aS,5R,8aS)-1,1,4a-Triméthyl-6-méthylène-5-[(2E)-3-méthyl-2,4-pentadién-1-yl]décahydronaphtalène [French] [ACD/IUPAC Name]
(4aS,5R,8aS)-1,1,4a-Trimethyl-6-methylene-5-[(2E)-3-methyl-2,4-pentadien-1-yl]decahydronaphthalene [ACD/IUPAC Name]
Naphthalene, decahydro-1,1,4a-trimethyl-6-methylene-5-[(2E)-3-methyl-2,4-pentadien-1-yl]-, (4aS,5R,8aS)- [ACD/Index Name]
syn-labda-8(17),12E,14-triene
(12<i>E</i>)-9&α;-labda-8(17),12,14-triene
(12E)-9α-labda-8(17),12,14-triene
(4aS,5R,8aS)-1,1,4a-trimethyl-6-methylene-5-[(2E)-3-methylpenta-2,4-dien-1-yl]decahydronaphthalene
(4aS,5R,8aS)-1,1,4a-trimethyl-6-methylidene-5-[(2E)-3-methylpenta-2,4-dien-1-yl]decahydronaphthalene
(4aS,5R,8aS)-1,1,4a-trimethyl-6-methylidene-5-[(2E)-3-methylpenta-2,4-dien-1-yl]decahydronaphthalene|<i>syn&lt;/i>-labda-8(17),12<i>E</i>,14-triene|5&amp;α;,9&α;,10&amp;β;-labda-8(17),12<i>E</i&gt;,14-triene
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CHEBI:63707 [DBID]
  • Miscellaneous

    • Chemical Class:

      A diterpene derived from labdane by dehydrogenation across the C(8)<bond>1</bond>C(17), C(12)<bond>1</bond>C(13) and C(14)<bond>1</bond>C(15) bonds. ChEBI CHEBI:63707
      A diterpene derived from labdane by dehydrogenation across the C(8)1C(17), C(12)1C(13) and C(14)1C(15) bonds. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:63707
      A diterpene derived from labdane by dehydrogenation across the C(8)-C(17), C(12)-C(13) and C(14)-C(15) bonds. ChEBI CHEBI:63707

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 339.5±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.4 mmHg at 25°C
Enthalpy of Vaporization: 56.0±0.8 kJ/mol
Flash Point: 153.0±13.6 °C
Index of Refraction: 1.498
Molar Refractivity: 89.5±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 8.71
ACD/LogD (pH 5.5): 7.55
ACD/BCF (pH 5.5): 324653.25
ACD/KOC (pH 5.5): 306653.28
ACD/LogD (pH 7.4): 7.55
ACD/BCF (pH 7.4): 324653.25
ACD/KOC (pH 7.4): 306653.28
Polar Surface Area: 0 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 30.6±5.0 dyne/cm
Molar Volume: 305.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement