1.0 2020-04-02 17:37:49 UTC 2020-04-02 17:37:50 UTC FDB097256 Cubebene-alpha C15H22 202.3352 202.172150704 (1R,7S,10R)-4,10-dimethyl-7-(propan-2-yl)tricyclo[4.4.0.0^{1,5}]dec-3-ene (1R,7S,10R)-7-isopropyl-4,10-dimethyltricyclo[4.4.0.0^{1,5}]dec-3-ene C[C@H](CCC=C(C)C)C1=CC=C(C)C=C1 InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3/t14-/m1/s1 VMYXUZSZMNBRCN-CQSZACIVSA-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 Aliphatic homopolycyclic compounds Branched unsaturated hydrocarbons Cyclic olefins Polycyclic hydrocarbons Unsaturated aliphatic hydrocarbons Aliphatic homopolycyclic compound Branched unsaturated hydrocarbon Cubebane sesquiterpenoid Cyclic olefin Hydrocarbon Olefin Polycyclic hydrocarbon Sesquiterpenoid Unsaturated aliphatic hydrocarbon Unsaturated hydrocarbon logp 3.88 ALOGPS logs -5.05 ALOGPS solubility 1.84e-03 g/l ALOGPS logp 4.09 ChemAxon iupac (1R,7S,10R)-4,10-dimethyl-7-(propan-2-yl)tricyclo[4.4.0.0^{1,5}]dec-3-ene ChemAxon average_mass 202.3352 ChemAxon mono_mass 202.172150704 ChemAxon smiles C[C@H](CCC=C(C)C)C1=CC=C(C)C=C1 ChemAxon formula C15H22 ChemAxon inchi InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3/t14-/m1/s1 ChemAxon inchikey VMYXUZSZMNBRCN-CQSZACIVSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 65.77 ChemAxon polarizability 26.2 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1261684 Specdb::MsMs 1261685 Specdb::MsMs 1261686 Specdb::MsMs 1376800 Specdb::MsMs 1376801 Specdb::MsMs 1376802 Cheese Type 2 specific Milk (Cow) Type 2 specific 0.61725 0.701 0.542 uM