1.0 2020-04-02 17:36:52 UTC 2025-11-19 03:07:42 UTC FDB097245 Carene C44H82NO7P 768.114 767.582890982 3,7,7-trimethylbicyclo[4.1.0]hept-1-ene carene [H][C@@](COCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,29,31,43H,6-13,15,17-19,21,23,26-28,30,32-42H2,1-5H3/b16-14-,22-20-,25-24-,31-29-/t43-/m1/s1 DUUSFCFZBREELS-WWBBCYQPSA-N belongs to the class of organic compounds known as polycyclic hydrocarbons. These are polycyclic organic compounds made up only of carbon and hydrogen atoms. Polycyclic hydrocarbons Organic compounds Hydrocarbons Polycyclic hydrocarbons Aliphatic homopolycyclic compounds Cyclic olefins Unsaturated aliphatic hydrocarbons Aliphatic homopolycyclic compound Cyclic olefin Olefin Polycyclic hydrocarbon Unsaturated aliphatic hydrocarbon Unsaturated hydrocarbon logp 4.17 ALOGPS logs -2.88 ALOGPS solubility 1.78e-01 g/l ALOGPS logp 2.8 ChemAxon iupac 3,7,7-trimethylbicyclo[4.1.0]hept-1-ene ChemAxon average_mass 768.114 ChemAxon mono_mass 767.582890982 ChemAxon smiles [H][C@@](COCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C44H82NO7P ChemAxon inchi InChI=1S/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,29,31,43H,6-13,15,17-19,21,23,26-28,30,32-42H2,1-5H3/b16-14-,22-20-,25-24-,31-29-/t43-/m1/s1 ChemAxon inchikey DUUSFCFZBREELS-WWBBCYQPSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 44.72 ChemAxon polarizability 17.45 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 5978 Specdb::MsMs 241408 Specdb::MsMs 241409 Specdb::MsMs 241410 Specdb::MsMs 243463 Specdb::MsMs 243464 Specdb::MsMs 243465 Grape wine Type 2 specific Mandarin orange (Clementine, Tangerine) Type 1 specific Citrus reticulata 85571 Milk (Cow) Type 2 specific 99.998 450.0 0.077 uM Pepper Type 1 specific Capsicum annuum 4072