InChI=1/C14H22O.C2H4O.CH2O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11;1-2-3-1;1-2/h6-9,15H,10H2,1-5H3;1-2H2;1H2

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1 hit(s) found in 0.11 seconds
Search term: MDYZKJNTKZIUSK-UHFFFAOYAP
Found by InChIKey (full match)

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Inherent Properties, Identifiers and References

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ChemSpider ID:	64483
Empirical Formula:	C₁₇H₂₈O₃
Molecular Weight:	280.4024
Nominal Mass:	280 Da
Average Mass:	280.4024 Da
Monoisotopic Mass:	280.203845 Da

Quick Links: Permalink Similar Isomers Wikibox

Systematic Name:

formaldehyde; oxirane; 4-(1,1,3,3-tetramethylbutyl)phenol

SMILES:

O=C.Oc1ccc(cc1)C(C)(C)CC(C)(C)C.O1CC1

InChI:

InChI=1/C14H22O.C2H4O.CH2O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11;1-2-3-1;1-2/h6-9,15H,10H2,1-5H3;1-2H2;1H2

InChIKey:

MDYZKJNTKZIUSK-UHFFFAOYAP

Std. InChI:

InChI=1S/C14H22O.C2H4O.CH2O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11;1-2-3-1;1-2/h6-9,15H,10H2,1-5H3;1-2H2;1H2

Std. InChIKey:

MDYZKJNTKZIUSK-UHFFFAOYSA-N

Details...

Associated Data Sources and Commercial Suppliers

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Patents	Personal Collections
Publication or Magazine Article	Web-based Article (blog or commentary)
Available Chemicals Databases	Biological Properties
Chemical Reactions	Chemical Safety Data
Drugs or Compounds in Development	Imaging Agents
Information Aggregators	Journal Publishers via MeSH
Ligand/binding/crystal Structure Databases	Metabolic Pathways
Molecular Libraries Screening Center Network	Natural Products
NIH Substance Repository	Physical Properties (including SAR/QSAR databases)
Protein 3D Structures	Spectroscopy Databases
Substance Vendors	Theoretical Properties
Toxicology/Environmental Databases	Virtual Library

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Patents

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PubMed Articles

Names and Synonyms

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

25301-02-4 [RN]

9014-50-0 [RN]

9014-66-8 [RN]

9015-10-5 [RN]

Alevaire

component of Alevaire

Enuclene

Exosurf

Macrocyclon

Superinone

Superiuone

Tiloxapol [Spanish]

Triton A-20

Triton W.R.1339

Triton WR 1339

Triton WR-1339

Tyloxapol [Wiki]

Tyloxapol [USAN:BAN:INN]

Tyloxapolum [Latin]

Tyloxypal

Database ID(s)

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

(Details...)

ACD/Labs Predicted Properties

ACD/LogP:	4.93	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	4.93	ACD/LogD (pH 7.4):	4.93
ACD/BCF (pH 5.5):	3286.25	ACD/BCF (pH 7.4):	3280.52
ACD/KOC (pH 5.5):	11451.09	ACD/KOC (pH 7.4):	11431.12
#H bond acceptors:	1	#H bond donors:	1
#Freely Rotating Bonds:	4	Polar Surface Area:	9.23 Å²
Index of Refraction:		Molar Refractivity:	cm³
Molar Volume:	cm³	Polarizability:	10^-24cm³
Surface Tension:	dyne/cm	Density:	g/cm³
Flash Point:	148.3 °C	Enthalpy of Vaporization:	54.21 kJ/mol
Boiling Point:	282.3 °C at 760 mmHg	Vapour Pressure:	0.00198 mmHg at 25°C

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