11-Hexadecenoic acid

11-Hexadecenoic acid
Compound Structure:
Synonyms: (Z)-hexadec-11-enoic acid;(Z)-11-hexadecenoic acid;11-Hexadecenoic acid;(Z11)-Hexadecenoic acid;11Z-hexadecenoic acid;cis-Palmitvaccenic acid;Hexadecenoic acid, Z-11
Compound ID: NMPC-062
PubChem ID:

5312414
Molecular Formula: C16H30O2
Canonical SMILES: CCCCC=CCCCCCCCCCC(=O)O
InChIKey: JGMYDQCXGIMHLL-WAYWQWQTSA-N
About the compound:

(Z)-Hexadec-11-enoic acid, a C16 monounsaturated fatty acid characterized by a double bond at position 11, plays a pivotal role as a crucial intermediate in the biosynthesis of silkworm pheromones. This compound also occurs naturally in certain organisms, including Lonicera japonica and Pyrococcus furiosus.
Properties:

Chemical and Physical Properties

 

Property Name

Property Value

Molecular Weight

254.41 g/mol

XLogP3

6.1

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

13

Exact Mass

254.224580195 g/mol

Monoisotopic Mass

254.224580195 g/mol

Topological Polar Surface Area

37.3Ų

Heavy Atom Count

18

Formal Charge

0

Complexity

209

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

1

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem
Source Species: Synepalum dulcificum
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