1.0 2010-04-08 22:11:34 UTC 2025-11-19 00:51:12 UTC FDB014954 1,3,5,11-Bisabolatetraen-10-one Constituent of oil of Cinnamomum cassia (Chinese cinnamon). 1,3,5,11-Bisabolatetraen-10-one is found in herbs and spices. 2-Methyl-6-(4-methylphenyl)-1-hepten-3-one C15H20O 216.3187 216.151415262 2-methyl-6-(4-methylphenyl)hept-1-en-3-one 2-methyl-6-(4-methylphenyl)hept-1-en-3-one 76760-39-9 CC(CCC(=O)C(C)=C)C1=CC=C(C)C=C1 InChI=1S/C15H20O/c1-11(2)15(16)10-7-13(4)14-8-5-12(3)6-9-14/h5-6,8-9,13H,1,7,10H2,2-4H3 JVRYIUOXNFDSNU-UHFFFAOYSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aromatic homomonocyclic compounds Acryloyl compounds Alpha-branched alpha,beta-unsaturated ketones Aromatic monoterpenoids Enones Hydrocarbon derivatives Ketones Organic oxides Toluenes Acryloyl-group Alpha,beta-unsaturated ketone Alpha-branched alpha,beta-unsaturated-ketone Aromatic homomonocyclic compound Benzenoid Bisabolane sesquiterpenoid Carbonyl group Enone Hydrocarbon derivative Ketone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound P-cymene Sesquiterpenoid Toluene logp 3.89 ALOGPS logs -4.85 ALOGPS solubility 3.04e-03 g/l ALOGPS logp 4.78 ChemAxon pka_strongest_basic -4.7 ChemAxon iupac 2-methyl-6-(4-methylphenyl)hept-1-en-3-one ChemAxon average_mass 216.3187 ChemAxon mono_mass 216.151415262 ChemAxon smiles CC(CCC(=O)C(C)=C)C1=CC=C(C)C=C1 ChemAxon formula C15H20O ChemAxon inchi InChI=1S/C15H20O/c1-11(2)15(16)10-7-13(4)14-8-5-12(3)6-9-14/h5-6,8-9,13H,1,7,10H2,2-4H3 ChemAxon inchikey JVRYIUOXNFDSNU-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 68.71 ChemAxon polarizability 25.88 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12273 Specdb::CMs 146816 Specdb::MsMs 54849 Specdb::MsMs 54850 Specdb::MsMs 54851 Specdb::MsMs 174903 Specdb::MsMs 174904 Specdb::MsMs 174905 Specdb::MsMs 2419572 Specdb::MsMs 2419573 Specdb::MsMs 2419574 Specdb::MsMs 2543102 Specdb::MsMs 2543103 Specdb::MsMs 2543104 HMDB36108 #<Reference:0x000055ce2ea69d78> Herbs and Spices Unknown generic