Molecular Identity
Octanoic Acid
octanoic acid
PubChem CID: 379
Octanoic acid is a straight-chain saturated fatty acid that is heptane in which one of the hydrogens of a terminal methyl group has been replaced by a carboxy group. Octanoic acid is also known as caprylic acid. It has a role as an antibacterial agent, an Escherichia coli metabolite and a human metabolite. It is a straight-chain saturated fatty acid and a medium-chain fatty acid. It is a conjugate acid of an octanoate.
2D Structure
Properties
C8H16O2
Molecular Formula
144.21
Molecular Weight
g/mol
144.1150
Exact Mass
Da
3
XLogP
Drug-like (Lipinski: < 5)
37.3
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
2
H-Bond Acceptors
89
Complexity
SMILES
Canonical SMILES
SMILES: CCCCCCCC(=O)OIsomeric SMILES
SMILES: CCCCCCCC(=O)OSynonyms(20)
octanoic acidcaprylic acid124-07-2n-octanoic acidn-caprylic acidOctylic acidoctoic acidn-octylic acid1-heptanecarboxylic acidn-Octoic acidEnantic acidOctic acidC-8 acidCaprylsaeureAcido octanoico
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Octanoic Acid
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