Octatriacontane - CAS 7194-85-6

Catalog:	BB034503
Product Name:	Octatriacontane
CAS:	7194-85-6
Synonyms:	octatriacontane

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Computed Properties

IUPAC Name:	octatriacontane
Description:	Octatriacontane (CAS# 7194-85-6) is a useful isotopically labeled research compound.
Molecular Weight:	535.03
Molecular Formula:	C38H78
Canonical SMILES:	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChI:	InChI=1S/C38H78/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-38H2,1-2H3
InChI Key:	BVKCQBBZBGYNOP-UHFFFAOYSA-N
Boiling Point:	510.9 ℃ at 760 mmHg
Density:	0.815 g/cm³
Solubility:	Other solvents(Soluble) : Hot benzene
LogP:	15.06980

Publication Number	Title	Priority Date
CN-110506744-B	Sequoia bifasciata female and male adult contact mating identification pheromone composition and application thereof	20190906
KR-102079536-B1	Microbial community with excellent soil crude oil resolution	20180921
JP-2019017305-A	Hydrocarbon production method using microalgae	20170718
WO-2019017406-A1	Method of producing hydrocarbon using microalgae	20170718
CA-3060002-A1	Variable-size hydrophobically-modified polymers	20170413

PMID	Publication Date	Title	Journal
21445240	20110318	Molecular determinants of S100B oligomer formation	PloS one
21485271	20110301	Chemical constituents of Melicope ptelefolia	Natural product communications
12774386	20020201	[Studies on the chemical constituents of the stems of Alyxia sinensis (I)]	Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica

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Complexity:	336
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	534.61035249
Formal Charge:	0
Heavy Atom Count:	38
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	534.61035249
Rotatable Bond Count:	35
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	20.2