(1S,2R)-3-oxo-2-pentyl-cyclopentaneacetic acid

HCID 16061083CAS 174757-06-3
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Basic information

Standard SMILES
CCCCC[C@H]1C(=O)CC[C@H]1CC(=O)O
InChIKey
PQEYTAGBXNEUQL-VHSXEESVSA-N
Molecular formula
C12H20O3
Average molar mass
212.28 g/mol

Overview

(+)-7-epi--9,10-dihydrojasmonic acid is a member of Jasmonate derivatives and an oxo monocarboxylic acid. It is functionally related to a jasmonic acid.

Names & identifiers

Preferred name
(1S,2R)-3-oxo-2-pentyl-cyclopentaneacetic acid
IUPAC
2-[(1S,2R)-3-oxo-2-pentylcyclopentyl]acetic acid

Names & synonyms

(+)-7-epi--9,10-dihydrojasmonic acid(1S,2R)-3-oxo-2-pentyl-cyclopentaneacetic acidY7ZYH3DSC3SCHEMBL7100591CHEBI:180008PQEYTAGBXNEUQL-VHSXEESVSA-NLMFA020200053-Oxo-2-pentylcyclopentaneacetic acid, (1S,2R)-(+)-cis-3-oxo-2-pentyl-1-cyclopentaneacetic acid(+/-)cis-3-oxo-2-pentyl-1-cyclopentaneacetic acid2-[(1S,2R)-3-oxo-2-pentylcyclopentyl]acetic acidCyclopentaneacetic acid, 3-oxo-2-pentyl-, (1S-cis)-
Show more names
174757-06-3

Database identifiers

CAS
174757-06-3
PubChem CID
16061083
ChEBI
CHEBI:180008
UNII
Y7ZYH3DSC3

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
54.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
15

Experimental & physicochemical properties

LipidsFatty Acyls [FA] -> Octadecanoids [FA02] -> Jasmonic acids [FA0202]

Related reactions

2 records
New reaction record

Linked notes

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