Potassium 8-(5-carboxy-4-hexylcyclohex-2-EN-1-YL)octanoate

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Basic information

CAS: 56453-06-6
Standard SMILES: CCCCCCC1C=CC(CCCCCCCC(=O)[O-])CC1C(=O)O.[K+]
InChIKey: NQEIIANRMIDQRR-UHFFFAOYSA-M
Molecular formula: C21H35KO4
Average molar mass: 390.6 g/mol
Monoisotopic mass: 390.21724108

Overview

See also: Potassium acrylinoleate (preferred).

Names & identifiers

Preferred name: Potassium 8-(5-carboxy-4-hexylcyclohex-2-EN-1-YL)octanoate
IUPAC: potassium 8-(5-carboxy-4-hexylcyclohex-2-en-1-yl)octanoate

Names & synonyms

DTXSID80880408NQEIIANRMIDQRR-UHFFFAOYSA-Mpotassium;8-(5-carboxy-4-hexylcyclohex-2-en-1-yl)octanoateNS00090080NS00090285Q27281079POTASSIUM 8-(5-CARBOXY-4-HEXYLCYCLOHEX-2-EN-1-YL)OCTANOATE

Database identifiers

CAS: 56453-06-6、68227-50-9
PubChem CID: 23715166
DTXSID: DTXSID80880408
UNII: J2XE43DFFA

Properties

Computed structural properties

Topological polar surface area: 77.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 14
Heavy atoms: 26
Formal charge: 0
Complexity: 422

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Compound notes

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