1.0 2016-10-03 18:13:43 UTC 2020-04-22 15:42:58 UTC BMDB0011153 BMDB11153 MG(P-18:0e/0:0/0:0) 1-(1Z-Octadecenyl)-sn-glycerol MAG(18:1) MAG(p-18:0) MAG(p-18:0/0:0/0:0) MG(18:1) MG(p-18:0) MG(O-18:1(1Z)) MG(O-18:1(1Z)/0:0/0:0) (2S)-3-[(1Z)-1-Octadecen-1-yloxy]-1,2-propanediol MAG(O-18:1(1Z)) MAG(O-18:1(1Z)/0:0/0:0) MG(P-18:0/0:0/0:0) C21H42O3 342.5564 342.31339521 (2S)-3-[(1Z)-octadec-1-en-1-yloxy]propane-1,2-diol (2S)-3-[(1Z)-octadec-1-en-1-yloxy]propane-1,2-diol 18330-10-4 [H][C@](O)(CO)CO\C=C/CCCCCCCCCCCCCCCC InChI=1S/C21H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h17-18,21-23H,2-16,19-20H2,1H3/b18-17-/t21-/m0/s1 WXWPBUKRBCYIMR-OGLOHFSISA-N belongs to the class of organic compounds known as glycerol vinyl ethers. These are lipids containing a vinyl ether derivative of glycerol. Organic compounds Lipids and lipid-like molecules Glycerolipids Glycerol vinyl ethers Glycerol vinyl ethers 1,2-diols Hydrocarbon derivatives Monoradylglycerols Primary alcohols Secondary alcohols 1,2-diol Alcohol Aliphatic acyclic compound Glycerol vinyl ether Hydrocarbon derivative Monoradylglycerol Organic oxygen compound Organooxygen compound Primary alcohol Secondary alcohol Aliphatic acyclic compounds Solid logp 7.68 ALOGPS logs -5.75 ALOGPS logp 6.36 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-3-[(1Z)-octadec-1-en-1-yloxy]propane-1,2-diol ChemAxon average_mass 342.5564 ChemAxon mono_mass 342.31339521 ChemAxon smiles [H][C@](O)(CO)CO\C=C/CCCCCCCCCCCCCCCC ChemAxon formula C21H42O3 ChemAxon inchi InChI=1S/C21H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h17-18,21-23H,2-16,19-20H2,1H3/b18-17-/t21-/m0/s1 ChemAxon inchikey WXWPBUKRBCYIMR-OGLOHFSISA-N ChemAxon polar_surface_area 49.69 ChemAxon refractivity 103.65 ChemAxon polarizability 44.92 ChemAxon rotatable_bond_count 19 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 18448 Specdb::CMs 39568 Specdb::CMs 172779 Specdb::MsMs 306910 Specdb::MsMs 306911 Specdb::MsMs 306912 Specdb::MsMs 350710 Specdb::MsMs 350711 Specdb::MsMs 350712 Specdb::MsMs 2713082 Specdb::MsMs 2713083 Specdb::MsMs 2713084 Specdb::MsMs 2965719 Specdb::MsMs 2965720 Specdb::MsMs 2965721 FDB112192 11824075 9998726