8E-heptadecenoic acid

HCID 5312438

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Basic information

CAS: 69695-25-6
Standard SMILES: CCCCCCCC/C=C/CCCCCCC(=O)O
InChIKey: ZBIGLIMGCLJKHN-MDZDMXLPSA-N
Molecular formula: C17H32O2
Average molar mass: 268.4 g/mol
Monoisotopic mass: 268.24023026

Overview

8E-heptadecenoic acid is a long-chain fatty acid.

Names & identifiers

Preferred name: 8E-heptadecenoic acid
IUPAC: (E)-heptadec-8-enoic acid

Names & synonyms

8E-heptadecenoic acid(E)-heptadec-8-enoic acidRefChem:10747928-Heptadecenoic acid69695-25-6C17:1n-9(8E)-8-Heptadecenoic acid1975-86-6(8E)-Heptadec-8-enoic acidSCHEMBL4647209CHEBI:196116DTXSID901312734

Show more names

LMFA01030287

Database identifiers

CAS: 69695-25-6
PubChem CID: 5312438
DTXSID: DTXSID901312734
ChEBI: CHEBI:196116
Nikkaji: J12.707H

Properties

Computed structural properties

XLogP: 6.9
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 14
Heavy atoms: 19
Formal charge: 0
Complexity: 221

Experimental & physicochemical properties

LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]

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Compound notes

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