CAS 15689-72-2 | Heptacosane, 13-methyl- | CAS Number 15689-72-2

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15689-72-2 | Heptacosane, 13-methyl-

CAS No: 15689-72-2 Catalog No: AG001P27 MDL No:

Product Description

Catalog Number:

AG001P27

Chemical Name:

Heptacosane, 13-methyl-

CAS Number:

15689-72-2

Molecular Formula:

C28H58

Molecular Weight:

394.7601

IUPAC Name:

13-methylheptacosane

InChI:

InChI=1S/C28H58/c1-4-6-8-10-12-14-16-17-19-21-23-25-27-28(3)26-24-22-20-18-15-13-11-9-7-5-2/h28H,4-27H2,1-3H3

InChI Key:

CLFMEEYUFHPNBC-UHFFFAOYSA-N

SMILES:

CCCCCCCCCCCCCCC(CCCCCCCCCCCC)C

Properties

Complexity:

257

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

394.454g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

394.772g/mol

Monoisotopic Mass:

394.454g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

15.1

Literature

Title	Journal
Identification of a sex attractant pheromone for male winterform pear psylla, Cacopsylla pyricola.	Journal of chemical ecology 20091201
Synthesis of the enantiomers of some methyl-branched cuticular hydrocarbons of the ant, Diacamma sp.	Bioscience, biotechnology, and biochemistry 20010201