CAS 14979-39-6 | 3-Heptanol, 4-methyl- | CAS Number 14979-39-6

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14979-39-6 | 3-Heptanol, 4-methyl-

CAS No: 14979-39-6 Catalog No: AG001M0R MDL No:

Product Description

Catalog Number:

AG001M0R

Chemical Name:

3-Heptanol, 4-methyl-

CAS Number:

14979-39-6

Molecular Formula:

C8H18O

Molecular Weight:

130.2279

IUPAC Name:

4-methylheptan-3-ol

InChI:

InChI=1S/C8H18O/c1-4-6-7(3)8(9)5-2/h7-9H,4-6H2,1-3H3

InChI Key:

BKQICAFAUMRYLZ-UHFFFAOYSA-N

SMILES:

CCCC(C(CC)O)C

EC Number:

239-058-9

UNII:

L4RU749510

NSC Number:

93808

Properties

Complexity:

61.6

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

130.136g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

130.231g/mol

Monoisotopic Mass:

130.136g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7

Literature

Title	Journal
Antimicrobial activities of components of the glandular secretions of leaf cutting ants of the genus Atta.	Antonie van Leeuwenhoek 20090501
Synthesis and biological activity of the four stereoisomers of 4-methyl-3-heptanol: main component of the aggregation pheromone of Scolytus amygdali.	Journal of chemical ecology 20040301