4,6-Dimethylnonanoic acid

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Basic information

CAS: 19943-71-6
Standard SMILES: CCCC(C)CC(C)CCC(=O)O
InChIKey: AFJVNCDRAOOULN-UHFFFAOYSA-N
Molecular formula: C11H22O2
Average molar mass: 186.29 g/mol
Monoisotopic mass: 186.16197994

Overview

4,6-Dimethylnonanoic acid is a medium-chain fatty acid.

Names & identifiers

Preferred name: 4,6-Dimethylnonanoic acid
IUPAC: 4,6-dimethylnonanoic acid

Names & synonyms

4,6-DIMETHYLNONANOIC ACID19943-71-6DTXSID10101581356078-94-54,6-DimethylnonanoateRefChem:966724,8-Dimethyl-nonanoateDTXCID701370271SCHEMBL4221144AFJVNCDRAOOULN-UHFFFAOYSA-NCHEBI:179384

Database identifiers

CAS: 19943-71-6、56078-94-5
PubChem CID: 29865
DTXSID: DTXSID101015813
ChEBI: CHEBI:179384
Nikkaji: J1.608.964H

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 7
Heavy atoms: 13
Formal charge: 0
Complexity: 143

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Compound notes

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