1,2-Di-1-(3,7,11,15-Tetramethyl-Hexadecane)-Sn-Glycerol

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as acyclic diterpenoids. These are diterpenoids (compounds made of four consecutive isoprene units) that do not contain a cycle.

Acyclic diterpenoids

Organic compounds

Lipids and lipid-like molecules

Prenol lipids

Diterpenoids

Calculated Property

kind Value Source
logP 10.1 ALOGPS
logS -8 ALOGPS
Water Solubility 6.11e-06 g/l ALOGPS
logP 15.06 ChemAxon
IUPAC Name (2S)-2-{[(3R,7S,11R)-3,7,11,15-tetramethylhexadecyl]oxy}-3-{[(3R,7S,11S)-3,7,11,15-tetramethylhexadecyl]oxy}propan-1-ol ChemAxon
Traditional IUPAC Name (2S)-2-{[(3R,7S,11R)-3,7,11,15-tetramethylhexadecyl]oxy}-3-{[(3R,7S,11S)-3,7,11,15-tetramethylhexadecyl]oxy}propan-1-ol ChemAxon
Molecular Weight 653.157 ChemAxon
Monoisotopic Weight 652.673346682 ChemAxon
SMILES CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCOC[C@H](CO)OCC[C@H](C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ChemAxon
Molecular Formula C43H88O3 ChemAxon
InChI InChI=1S/C43H88O3/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-45-34-43(33-44)46-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h35-44H,11-34H2,1-10H3/t37-,38+,39-,40-,41+,42+,43-/m0/s1 ChemAxon
InChIKey InChIKey=ISDBCJSGCHUHFI-FOLKXJRZSA-N ChemAxon
Polar Surface Area (PSA) 38.69 ChemAxon
Refractivity 204.58 ChemAxon
Polarizability 88.78 ChemAxon
Rotatable Bond Count 34 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 14.6 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