1-Octen-3-Ol

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.

Fatty alcohols

Organic compounds

Lipids and lipid-like molecules

Fatty Acyls

Fatty alcohols

Calculated Property

kind Value Source
logP 2.43 ALOGPS
logS -2 ALOGPS
Water Solubility 1.31e+00 g/l ALOGPS
logP 2.49 ChemAxon
IUPAC Name (3S)-oct-1-en-3-ol ChemAxon
Traditional IUPAC Name oct-1-en-3S-ol ChemAxon
Molecular Weight 128.212 ChemAxon
Monoisotopic Weight 128.120115134 ChemAxon
SMILES CCCCC[C@H](O)C=C ChemAxon
Molecular Formula C8H16O ChemAxon
InChI InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3/t8-/m1/s1 ChemAxon
InChIKey InChIKey=VSMOENVRRABVKN-MRVPVSSYSA-N ChemAxon
Polar Surface Area (PSA) 20.23 ChemAxon
Refractivity 40.17 ChemAxon
Polarizability 16.25 ChemAxon
Rotatable Bond Count 5 ChemAxon
H Bond Acceptor Count 1 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 17.49 ChemAxon
pKa (strongest basic) -1.7 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 0 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon