1.0 2010-04-08 22:10:14 UTC 2019-11-26 03:07:07 UTC FDB012571 eta-Tocopherol Constituent of rice. eta-Tocopherol is found in cereals and cereal products. 7-Methyltocol C27H46O2 402.6529 402.349780716 2,7-dimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-ol n-tocopherol 91-86-1 CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2=C(O1)C=C(C)C(O)=C2 InChI=1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)23(5)18-26(24)29-27/h18-22,28H,7-17H2,1-6H3 PZZKGQBMBVYPGR-UHFFFAOYSA-N belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Diterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Hydrocarbon derivatives Oxacyclic compounds 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromane Diterpenoid Ether Hydrocarbon derivative Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle logp 8.75 ALOGPS logs -7.55 ALOGPS solubility 1.13e-05 g/l ALOGPS melting_point < 25 oC logp 9.48 ChemAxon pka_strongest_acidic 10.35 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 2,7-dimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-ol ChemAxon average_mass 402.6529 ChemAxon mono_mass 402.349780716 ChemAxon smiles CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2=C(O1)C=C(C)C(O)=C2 ChemAxon formula C27H46O2 ChemAxon inchi InChI=1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)23(5)18-26(24)29-27/h18-22,28H,7-17H2,1-6H3 ChemAxon inchikey PZZKGQBMBVYPGR-UHFFFAOYSA-N ChemAxon polar_surface_area 29.46 ChemAxon refractivity 125.29 ChemAxon polarizability 51.61 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 11153 Specdb::MsMs 11154 Specdb::MsMs 11155 Specdb::MsMs 17825 Specdb::MsMs 17826 Specdb::MsMs 17827 Specdb::MsMs 2831287 Specdb::MsMs 2831288 Specdb::MsMs 2831289 Specdb::MsMs 2847368 Specdb::MsMs 2847369 Specdb::MsMs 2847370 Specdb::CMs 21163 Specdb::CMs 43782 Specdb::CMs 165308 HMDB34254 #<Reference:0x000055ce32cd8560> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic