1.0 2010-04-08 22:07:47 UTC 2025-11-18 23:05:29 UTC FDB007794 cis-Sesquisabinene hydrate Cis-sesquisabinene hydrate is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Cis-sesquisabinene hydrate is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Cis-sesquisabinene hydrate can be found in ginger, which makes cis-sesquisabinene hydrate a potential biomarker for the consumption of this food product. (z)-β-sesquisabinene hydrate (z)-sesquisabinenehydrate Cis-sesquisabinenhydrate Sesquisabinene hydrate (cis) C15H26O 222.3663 222.198365454 (2R,5S)-2-methyl-5-(6-methylhept-5-en-2-yl)bicyclo[3.1.0]hexan-2-ol (2R,5S)-2-methyl-5-(6-methylhept-5-en-2-yl)bicyclo[3.1.0]hexan-2-ol 7235-40-7 CC(CCC=C(C)C)[C@]12CC1[C@](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/t12?,13?,14-,15+/m1/s1 IRDFGGRWKUKANK-CVSAEHQPSA-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 (2R,5S)-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)[C@]12CC1[C@](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/t12?,13?,14-,15+/m1/s1 ChemAxon inchikey IRDFGGRWKUKANK-CVSAEHQPSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 69.36 ChemAxon polarizability 27.95 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 106368 Specdb::MsMs 106369 Specdb::MsMs 106370 Specdb::MsMs 173100 Specdb::MsMs 173101 Specdb::MsMs 173102 Specdb::MsMs 3604367 Specdb::MsMs 3604368 Specdb::MsMs 3604369 Specdb::MsMs 3604370 Specdb::MsMs 3604371 Specdb::MsMs 3604372 Ginger Type 1 specific Zingiber officinale 94328