1.0 2010-04-08 22:11:33 UTC 2018-05-29 01:15:47 UTC FDB014931 exo-5,6-Dimethylbicyclo[2.2.1]hept-5-en-2-ol Constituent of the oil of East Indian sandalwood (Santalum album). Food flavouring 5,6-Dimethylbicyclo[2.2.1]hept-5-en-2-ol, 9ci 5,6-Dimethylbicyclo[2.2.1]hept-5-en-2-ol, 9CI; exo-form C9H14O 138.2069 138.10446507 5,6-dimethylbicyclo[2.2.1]hept-5-en-2-ol 5,6-dimethylbicyclo[2.2.1]hept-5-en-2-ol 95-01-2 CC1=C(C)C2CC1CC2O InChI=1S/C9H14O/c1-5-6(2)8-3-7(5)4-9(8)10/h7-10H,3-4H2,1-2H3 BRMSNMZILBBMIX-UHFFFAOYSA-N belongs to the class of organic compounds known as cyclic alcohols and derivatives. These are organic compounds containing an aliphatic ring substituted with at least one hydroxyl group. Cyclic alcohols and derivatives Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Aliphatic homopolycyclic compounds Hydrocarbon derivatives Secondary alcohols Aliphatic homopolycyclic compound Cyclic alcohol Hydrocarbon derivative Secondary alcohol logp 1.32 ALOGPS logs -1.08 ALOGPS solubility 1.16e+01 g/l ALOGPS logp 1.15 ChemAxon pka_strongest_acidic 18.61 ChemAxon pka_strongest_basic -1.2 ChemAxon iupac 5,6-dimethylbicyclo[2.2.1]hept-5-en-2-ol ChemAxon average_mass 138.2069 ChemAxon mono_mass 138.10446507 ChemAxon smiles CC1=C(C)C2CC1CC2O ChemAxon formula C9H14O ChemAxon inchi InChI=1S/C9H14O/c1-5-6(2)8-3-7(5)4-9(8)10/h7-10H,3-4H2,1-2H3 ChemAxon inchikey BRMSNMZILBBMIX-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 41.57 ChemAxon polarizability 16.28 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 109836 Specdb::MsMs 109837 Specdb::MsMs 109838 Specdb::MsMs 177372 Specdb::MsMs 177373 Specdb::MsMs 177374 Specdb::MsMs 2686554 Specdb::MsMs 2686555 Specdb::MsMs 2686556 Specdb::MsMs 2992829 Specdb::MsMs 2992830 Specdb::MsMs 2992831 Specdb::CMs 12257 Specdb::CMs 44719 Specdb::CMs 133003 Specdb::CMs 140737 Specdb::NmrOneD 133618 Specdb::NmrOneD 133619 Specdb::NmrOneD 133620 Specdb::NmrOneD 133621 Specdb::NmrOneD 133622 Specdb::NmrOneD 133623 Specdb::NmrOneD 133624 Specdb::NmrOneD 133625 Specdb::NmrOneD 133626 Specdb::NmrOneD 133627 Specdb::NmrOneD 133628 Specdb::NmrOneD 133629 Specdb::NmrOneD 133630 Specdb::NmrOneD 133631 Specdb::NmrOneD 133632 Specdb::NmrOneD 133633 Specdb::NmrOneD 133634 Specdb::NmrOneD 133635 Specdb::NmrOneD 133636 Specdb::NmrOneD 133637 HMDB36091 #<Reference:0x000055ce327bfb50> #<Reference:0x000055ce327bf7e0>