1.0 2010-04-08 22:10:56 UTC 2019-11-26 03:09:09 UTC FDB013845 Sesquisabinene hydrate Isolated from essential oil of Zingiber officinale (ginger). Sesquisabinene hydrate is found in herbs and spices and ginger. Sesquisabinene hydrate C15H26O 222.3663 222.198365454 2-methyl-5-(6-methylhept-5-en-2-yl)bicyclo[3.1.0]hexan-2-ol 2-methyl-5-(6-methylhept-5-en-2-yl)bicyclo[3.1.0]hexan-2-ol CC(CCC=C(C)C)C12CC1C(C)(O)CC2 InChI=1S/C15H26O/c1-11(2)6-5-7-12(3)15-9-8-14(4,16)13(15)10-15/h6,12-13,16H,5,7-10H2,1-4H3 IRDFGGRWKUKANK-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 Cyclic alcohols and derivatives Hydrocarbon derivatives Tertiary alcohols Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Sesquisabinane sesquiterpenoid Sesquiterpenoid Tertiary alcohol logp 4.22 ALOGPS logs -3.75 ALOGPS solubility 4.00e-02 g/l ALOGPS logp 3.55 ChemAxon pka_strongest_acidic 19.13 ChemAxon pka_strongest_basic -0.99 ChemAxon iupac 2-methyl-5-(6-methylhept-5-en-2-yl)bicyclo[3.1.0]hexan-2-ol ChemAxon average_mass 222.3663 ChemAxon mono_mass 222.198365454 ChemAxon smiles CC(CCC=C(C)C)C12CC1C(C)(O)CC2 ChemAxon formula C15H26O ChemAxon inchi InChI=1S/C15H26O/c1-11(2)6-5-7-12(3)15-9-8-14(4,16)13(15)10-15/h6,12-13,16H,5,7-10H2,1-4H3 ChemAxon inchikey IRDFGGRWKUKANK-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 69.36 ChemAxon polarizability 27.81 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21183 Specdb::CMs 44246 Specdb::CMs 130933 Specdb::CMs 138667 Specdb::MsMs 9452 Specdb::MsMs 9453 Specdb::MsMs 9454 Specdb::MsMs 16124 Specdb::MsMs 16125 Specdb::MsMs 16126 Specdb::MsMs 2777591 Specdb::MsMs 2777592 Specdb::MsMs 2777593 Specdb::MsMs 2900889 Specdb::MsMs 2900890 Specdb::MsMs 2900891 HMDB35199 #<Reference:0x00007f08d001d648> Ginger Type 1 specific Zingiber officinale 94328 Herbs and Spices Unknown generic