1.0 2010-04-08 22:15:41 UTC 2019-11-26 03:20:23 UTC FDB021432 (Z)-4-Hepten-2-one Constituent of bananas. (Z)-4-Hepten-2-one is found in fruits. 7-O-Demethyltetrandrine Berbaman-7-ol, 6,6',12-trimethoxy-2,2'-dimethyl- Isofangchinoline Limacine Thaligine C7H12O 112.1696 112.088815006 (4E)-hept-4-en-2-one (4E)-hept-4-en-2-one 36678-43-0 CC\C=C\CC(C)=O InChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h4-5H,3,6H2,1-2H3/b5-4+ VQKIKHHXFHNXJT-SNAWJCMRSA-N belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. Ketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic acyclic compounds Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Hydrocarbon derivative Ketone Organic oxide Oxygenated hydrocarbons methyl ketone olefinic compound logp 1.72 ALOGPS logs -1.59 ALOGPS solubility 2.92e+00 g/l ALOGPS logp 1.78 ChemAxon pka_strongest_acidic 16.67 ChemAxon pka_strongest_basic -7.4 ChemAxon iupac (4E)-hept-4-en-2-one ChemAxon average_mass 112.1696 ChemAxon mono_mass 112.088815006 ChemAxon smiles CC\C=C\CC(C)=O ChemAxon formula C7H12O ChemAxon inchi InChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h4-5H,3,6H2,1-2H3/b5-4+ ChemAxon inchikey VQKIKHHXFHNXJT-SNAWJCMRSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 35.74 ChemAxon polarizability 13.62 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 4508 Specdb::MsIr 4509 Specdb::CMs 10892 Specdb::CMs 162053 Specdb::MsMs 54111 Specdb::MsMs 54112 Specdb::MsMs 54113 Specdb::MsMs 111132 Specdb::MsMs 111133 Specdb::MsMs 111134 Specdb::MsMs 2275425 Specdb::MsMs 2275426 Specdb::MsMs 2275427 Specdb::MsMs 3093124 Specdb::MsMs 3093125 Specdb::MsMs 3093126 Specdb::NmrOneD 164089 Specdb::NmrOneD 164090 Specdb::NmrOneD 164091 Specdb::NmrOneD 164092 Specdb::NmrOneD 164093 Specdb::NmrOneD 164094 Specdb::NmrOneD 164095 Specdb::NmrOneD 164096 Specdb::NmrOneD 164097 Specdb::NmrOneD 164098 Specdb::NmrOneD 164099 Specdb::NmrOneD 164100 Specdb::NmrOneD 164101 Specdb::NmrOneD 164102 Specdb::NmrOneD 164103 Specdb::NmrOneD 164104 Specdb::NmrOneD 164105 Specdb::NmrOneD 164106 Specdb::NmrOneD 164107 Specdb::NmrOneD 164108 HMDB31487 #<Reference:0x000055ce326f60c0> Fruits Unknown generic