1.0 2010-04-08 22:05:34 UTC 2019-11-26 02:58:05 UTC FDB002883 1-Hydroxyacorenone Constituent of Acorus calamus (sweet flag). 1-Hydroxyacorenone is found in herbs and spices and root vegetables. 1-Hydroxyacorenone C15H22O3 250.3334 250.15689457 1-hydroxy-4,8-dimethyl-1-(propan-2-yl)spiro[4.5]dec-8-ene-2,7-dione 1-hydroxy-1-isopropyl-4,8-dimethylspiro[4.5]dec-8-ene-2,7-dione 185154-98-7 CC(C)C1(O)C(=O)CC(C)C11CC=C(C)C(=O)C1 InChI=1S/C15H22O3/c1-9(2)15(18)13(17)7-11(4)14(15)6-5-10(3)12(16)8-14/h5,9,11,18H,6-8H2,1-4H3 PUPNOMJEHZIMFF-UHFFFAOYSA-N belongs to the class of organic compounds known as cyclohexenones. Cyclohexenones are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond. Cyclohexenones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic homopolycyclic compounds Acyloins Cyclic alcohols and derivatives Hydrocarbon derivatives Organic oxides Tertiary alcohols Acyloin Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Cyclohexenone Hydrocarbon derivative Organic oxide Tertiary alcohol logp 2.13 ALOGPS logs -2.52 ALOGPS solubility 7.61e-01 g/l ALOGPS logp 2.61 ChemAxon pka_strongest_acidic 12.52 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac 1-hydroxy-4,8-dimethyl-1-(propan-2-yl)spiro[4.5]dec-8-ene-2,7-dione ChemAxon average_mass 250.3334 ChemAxon mono_mass 250.15689457 ChemAxon smiles CC(C)C1(O)C(=O)CC(C)C11CC=C(C)C(=O)C1 ChemAxon formula C15H22O3 ChemAxon inchi InChI=1S/C15H22O3/c1-9(2)15(18)13(17)7-11(4)14(15)6-5-10(3)12(16)8-14/h5,9,11,18H,6-8H2,1-4H3 ChemAxon inchikey PUPNOMJEHZIMFF-UHFFFAOYSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 70.36 ChemAxon polarizability 27.38 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13415 Specdb::CMs 42251 Specdb::CMs 174962 Specdb::MsMs 81771 Specdb::MsMs 81772 Specdb::MsMs 81773 Specdb::MsMs 142962 Specdb::MsMs 142963 Specdb::MsMs 142964 Specdb::MsMs 3046477 Specdb::MsMs 3046478 Specdb::MsMs 3046479 Specdb::MsMs 3094480 Specdb::MsMs 3094481 Specdb::MsMs 3094482 HMDB30917 #<Reference:0x000055ce31ce2188> Herbs and Spices Unknown generic Root vegetables Unknown generic