1.0 2010-04-08 22:14:19 UTC 2019-11-26 03:17:26 UTC FDB019378 6-Hydroxy-4,6-dimethyl-3-hepten-2-one Found in red and green bell peppers Capsicum annuum variety angulosum C9H16O2 156.2221 156.115029756 (3Z)-6-hydroxy-4,6-dimethylhept-3-en-2-one (3Z)-6-hydroxy-4,6-dimethylhept-3-en-2-one 83348-17-8 CC(=O)\C=C(\C)CC(C)(C)O InChI=1S/C9H16O2/c1-7(5-8(2)10)6-9(3,4)11/h5,11H,6H2,1-4H3/b7-5- OAHJSCYHJQJALB-ALCCZGGFSA-N belongs to the class of organic compounds known as tertiary alcohols. Tertiary alcohols are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ). Tertiary alcohols Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Aliphatic acyclic compounds Acryloyl compounds Enones Hydrocarbon derivatives Ketones Organic oxides Acryloyl-group Aliphatic acyclic compound Alpha,beta-unsaturated ketone Carbonyl group Enone Hydrocarbon derivative Ketone Organic oxide Tertiary alcohol logp 0.88 ALOGPS logs -1.45 ALOGPS solubility 5.51e+00 g/l ALOGPS logp 1.2 ChemAxon pka_strongest_acidic 18.78 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac (3Z)-6-hydroxy-4,6-dimethylhept-3-en-2-one ChemAxon average_mass 156.2221 ChemAxon mono_mass 156.115029756 ChemAxon smiles CC(=O)\C=C(\C)CC(C)(C)O ChemAxon formula C9H16O2 ChemAxon inchi InChI=1S/C9H16O2/c1-7(5-8(2)10)6-9(3,4)11/h5,11H,6H2,1-4H3/b7-5- ChemAxon inchikey OAHJSCYHJQJALB-ALCCZGGFSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 46.38 ChemAxon polarizability 17.85 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8284 Specdb::MsIr 8285 Specdb::MsIr 8286 Specdb::CMs 18614 Specdb::CMs 46546 Specdb::CMs 135414 Specdb::CMs 143148 Specdb::NmrOneD 35682 Specdb::NmrOneD 35683 Specdb::NmrOneD 35684 Specdb::NmrOneD 35685 Specdb::NmrOneD 35686 Specdb::NmrOneD 35687 Specdb::NmrOneD 35688 Specdb::NmrOneD 35689 Specdb::NmrOneD 35690 Specdb::NmrOneD 35691 Specdb::NmrOneD 35692 Specdb::NmrOneD 35693 Specdb::NmrOneD 35694 Specdb::NmrOneD 35695 Specdb::NmrOneD 35696 Specdb::NmrOneD 35697 Specdb::NmrOneD 35698 Specdb::NmrOneD 35699 Specdb::NmrOneD 35700 Specdb::NmrOneD 35701 Specdb::MsMs 63414 Specdb::MsMs 63415 Specdb::MsMs 63416 Specdb::MsMs 120363 Specdb::MsMs 120364 Specdb::MsMs 120365 Specdb::MsMs 2366998 Specdb::MsMs 2366999 Specdb::MsMs 2367000 Specdb::MsMs 2598118 Specdb::MsMs 2598119 Specdb::MsMs 2598120 HMDB39736 #<Reference:0x000055ce31d714c8> Green bell pepper Type 1 specific Capsicum annuum 4072 Herbs and Spices Unknown generic Italian sweet red pepper Type 1 specific Capsicum annuum 4072 Orange bell pepper Type 1 specific Capsicum annuum 4072 Red bell pepper Type 1 specific Capsicum annuum 4072 Yellow bell pepper Type 1 specific Capsicum annuum 4072