1.0 2010-04-08 22:14:29 UTC 2019-11-26 03:17:43 UTC FDB019632 xi-Campholenic alcohol Constituent of Juniperus communis (juniper). Flavouring ingredient. xi-Campholenic alcohol is found in fruits. C10H18O 154.2493 154.135765198 2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethan-1-ol 2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethanol 1901-38-8 CC1=CCC(CCO)C1(C)C InChI=1S/C10H18O/c1-8-4-5-9(6-7-11)10(8,2)3/h4,9,11H,5-7H2,1-3H3 NPGPPCSBEMHHCR-UHFFFAOYSA-N belongs to the class of organic compounds known as monocyclic monoterpenoids. These are monoterpenoids containing 1 ring in the isoprene chain. Monocyclic monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic homomonocyclic compounds Hydrocarbon derivatives Primary alcohols Alcohol Aliphatic homomonocyclic compound Hydrocarbon derivative Monocyclic monoterpenoid Organic oxygen compound Organooxygen compound Primary alcohol logp 3.05 ALOGPS logs -1.97 ALOGPS solubility 1.66e+00 g/l ALOGPS logp 1.99 ChemAxon pka_strongest_acidic 17.23 ChemAxon pka_strongest_basic -1.8 ChemAxon iupac 2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethan-1-ol ChemAxon average_mass 154.2493 ChemAxon mono_mass 154.135765198 ChemAxon smiles CC1=CCC(CCO)C1(C)C ChemAxon formula C10H18O ChemAxon inchi InChI=1S/C10H18O/c1-8-4-5-9(6-7-11)10(8,2)3/h4,9,11H,5-7H2,1-3H3 ChemAxon inchikey NPGPPCSBEMHHCR-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 48.51 ChemAxon polarizability 19.01 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7072 Specdb::MsIr 7073 Specdb::MsIr 7074 Specdb::CMs 22039 Specdb::CMs 44710 Specdb::CMs 170069 Specdb::NmrOneD 133418 Specdb::NmrOneD 133419 Specdb::NmrOneD 133420 Specdb::NmrOneD 133421 Specdb::NmrOneD 133422 Specdb::NmrOneD 133423 Specdb::NmrOneD 133424 Specdb::NmrOneD 133425 Specdb::NmrOneD 133426 Specdb::NmrOneD 133427 Specdb::NmrOneD 133428 Specdb::NmrOneD 133429 Specdb::NmrOneD 133430 Specdb::NmrOneD 133431 Specdb::NmrOneD 133432 Specdb::NmrOneD 133433 Specdb::NmrOneD 133434 Specdb::NmrOneD 133435 Specdb::NmrOneD 133436 Specdb::NmrOneD 133437 Specdb::MsMs 85473 Specdb::MsMs 85474 Specdb::MsMs 85475 Specdb::MsMs 147576 Specdb::MsMs 147577 Specdb::MsMs 147578 Specdb::MsMs 2441149 Specdb::MsMs 2441150 Specdb::MsMs 2441151 Specdb::MsMs 2524656 Specdb::MsMs 2524657 Specdb::MsMs 2524658 HMDB36068 #<Reference:0x000055ce2ed871e0> Fruits Unknown generic