1.0 2011-09-26 22:54:02 UTC 2025-11-19 02:58:23 UTC FDB029671 3,3,6-trimethyl-1,5-heptadien-4-ol Flavouring compound [Flavornet] C10H18O 154.253 154.1357652 3,3,6-trimethylhepta-1,5-dien-4-ol 3,3,6-trimethylhepta-1,5-dien-4-ol 29887-38-5 CC(C)=CC(O)C(C)(C)C=C InChI=1S/C10H18O/c1-6-10(4,5)9(11)7-8(2)3/h6-7,9,11H,1H2,2-5H3 WPPVSYVQAKQNJK-UHFFFAOYSA-N belongs to the class of organic compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl). Secondary alcohols Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Aliphatic acyclic compounds Hydrocarbon derivatives Aliphatic acyclic compound Hydrocarbon derivative Secondary alcohol logp 2.91 ALOGPS logs -2.31 ALOGPS solubility 7.63e-01 g/l ALOGPS logp 2.67 ChemAxon pka_strongest_acidic 19.16 ChemAxon pka_strongest_basic -0.98 ChemAxon iupac 3,3,6-trimethylhepta-1,5-dien-4-ol ChemAxon average_mass 154.253 ChemAxon mono_mass 154.1357652 ChemAxon smiles CC(C)=CC(O)C(C)(C)C=C ChemAxon formula C10H18O ChemAxon inchi InChI=1S/C10H18O/c1-6-10(4,5)9(11)7-8(2)3/h6-7,9,11H,1H2,2-5H3 ChemAxon inchikey WPPVSYVQAKQNJK-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 49.84 ChemAxon polarizability 18.66 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1310995 Specdb::MsMs 1310996 Specdb::MsMs 1310997 Specdb::MsMs 1425481 Specdb::MsMs 1425482 Specdb::MsMs 1425483 Specdb::MsMs 3607120 Specdb::MsMs 3607121 Specdb::MsMs 3607122 Specdb::MsMs 3608299 Specdb::MsMs 3608300 Specdb::MsMs 3608301 herb herbal