1.0 2010-04-08 22:12:01 UTC 2019-11-26 03:12:08 UTC FDB015742 (1alpha,6alpha,7alphaH)-2,4(15)-Copadiene Constituent of the essential oil of Cyperus rotundus (nutgrass). (1alpha,6alpha,7alphaH)-2,4(15)-Copadiene is found in root vegetables. Copadiene C15H22 202.3352 202.172150704 1-methyl-5-methylidene-8-(propan-2-yl)tricyclo[4.4.0.0²,⁷]dec-3-ene 8-isopropyl-1-methyl-5-methylidenetricyclo[4.4.0.0²,⁷]dec-3-ene 27597-38-2 CC(C)C1CCC2(C)C3C=CC(=C)C2C13 InChI=1S/C15H22/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5-6,9,11-14H,3,7-8H2,1-2,4H3 ADVJSMBYHNLAGK-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 Aliphatic homopolycyclic compounds Branched unsaturated hydrocarbons Cyclic olefins Polycyclic hydrocarbons Unsaturated aliphatic hydrocarbons Aliphatic homopolycyclic compound Branched unsaturated hydrocarbon Copaane sesquiterpenoid Cyclic olefin Hydrocarbon Olefin Polycyclic hydrocarbon Sesquiterpenoid Unsaturated aliphatic hydrocarbon Unsaturated hydrocarbon logp 3.42 ALOGPS logs -4.98 ALOGPS solubility 2.12e-03 g/l ALOGPS logp 3.78 ChemAxon iupac 1-methyl-5-methylidene-8-(propan-2-yl)tricyclo[4.4.0.0²,⁷]dec-3-ene ChemAxon average_mass 202.3352 ChemAxon mono_mass 202.172150704 ChemAxon smiles CC(C)C1CCC2(C)C3C=CC(=C)C2C13 ChemAxon formula C15H22 ChemAxon inchi InChI=1S/C15H22/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5-6,9,11-14H,3,7-8H2,1-2,4H3 ChemAxon inchikey ADVJSMBYHNLAGK-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 65.81 ChemAxon polarizability 25.42 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21853 Specdb::CMs 152246 Specdb::MsMs 66111 Specdb::MsMs 66112 Specdb::MsMs 66113 Specdb::MsMs 123591 Specdb::MsMs 123592 Specdb::MsMs 123593 Specdb::MsMs 2699396 Specdb::MsMs 2699397 Specdb::MsMs 2699398 Specdb::MsMs 3005892 Specdb::MsMs 3005893 Specdb::MsMs 3005894 HMDB36796 #<Reference:0x000055ce30d3adc0> Root vegetables Unknown generic