Molecular Identity
1-octanol
octan-1-ol
PubChem CID: 957
Octan-1-ol is an octanol carrying the hydroxy group at position 1. It has a role as an antifungal agent, a fuel additive, a plant metabolite, a bacterial metabolite and a kairomone. It is a primary alcohol and an octanol.
2D Structure
Properties
C8H18O
Molecular Formula
130.23
Molecular Weight
g/mol
130.1358
Exact Mass
Da
3
XLogP
Drug-like (Lipinski: < 5)
20.2
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
1
H-Bond Acceptors
43
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
1-octanolOctan-1-olN-octanol111-87-5Octyl alcoholcaprylic alcoholn-Octyl alcoholHeptyl carbinol1-HydroxyoctaneOctilinPrimary octyl alcoholAlcohol C-8n-Octan-1-olAlfol 8Sipol L8
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 1-octanol
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