1-Monooleoyl-Rac-Glycerol

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol.

Fatty alcohol esters

Organic compounds

Lipids and lipid-like molecules

Fatty Acyls

Fatty alcohol esters

Calculated Property

kind Value Source
logP 6.54 ALOGPS
logS -5.5 ALOGPS
Water Solubility 1.05e-03 g/l ALOGPS
logP 5.81 ChemAxon
IUPAC Name (9E)-octadec-9-en-1-yl (2S)-2,3-dihydroxypropanoate ChemAxon
Traditional IUPAC Name 1-monooleoyl-rac-glycerol ChemAxon
Molecular Weight 356.5399 ChemAxon
Monoisotopic Weight 356.292659768 ChemAxon
SMILES CCCCCCCCC=CCCCCCCCCOC(=O)[C@@H](O)CO ChemAxon
Molecular Formula C21H40O4 ChemAxon
InChI InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-21(24)20(23)19-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9+/t20-/m0/s1 ChemAxon
InChIKey InChIKey=JPJYKWFFJCWMPK-XTXLJPNXSA-N ChemAxon
Polar Surface Area (PSA) 66.76 ChemAxon
Refractivity 104.56 ChemAxon
Polarizability 45.84 ChemAxon
Rotatable Bond Count 19 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 11.94 ChemAxon
pKa (strongest basic) -3 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 0 ChemAxon
Bioavailability 0 ChemAxon
Rule of Five 0 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon