1.0 2016-09-30 23:10:37 UTC 2020-04-22 15:14:09 UTC BMDB0004814 BMDB04814 4-Heptanone 4-Oxoheptane Butyrone Di-N-propyl ketone Dipropyl ketone Heptan-4-one Propyl ketone 4-Heptanone C7H14O 114.1855 114.10446507 heptan-4-one propyl ketone 123-19-3 CCCC(=O)CCC InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3 HCFAJYNVAYBARA-UHFFFAOYSA-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. Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Ketones Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Hydrocarbon derivative Ketone Organic oxide Aliphatic acyclic compounds Oxygenated hydrocarbons Liquid melting_point -34 °C water_solubility 3.2 mg/mL at 25 °C logp 2.06 ALOGPS logs -1.40 ALOGPS logp 2.4 ChemAxon pka_strongest_basic -7.3 ChemAxon iupac heptan-4-one ChemAxon average_mass 114.1855 ChemAxon mono_mass 114.10446507 ChemAxon smiles CCCC(=O)CCC ChemAxon formula C7H14O ChemAxon inchi InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3 ChemAxon inchikey HCFAJYNVAYBARA-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 34.65 ChemAxon polarizability 14.21 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::NmrTwoD 1941 Specdb::MsIr 2240 Specdb::MsIr 2241 Specdb::CMs 22034 Specdb::CMs 26816 Specdb::CMs 28326 Specdb::CMs 99864 Specdb::CMs 99865 Specdb::CMs 165616 Specdb::NmrOneD 2006 Specdb::NmrOneD 48462 Specdb::NmrOneD 48463 Specdb::NmrOneD 48464 Specdb::NmrOneD 48465 Specdb::NmrOneD 48466 Specdb::NmrOneD 48467 Specdb::NmrOneD 48468 Specdb::NmrOneD 48469 Specdb::NmrOneD 48470 Specdb::NmrOneD 48471 Specdb::NmrOneD 48472 Specdb::NmrOneD 48473 Specdb::NmrOneD 48474 Specdb::NmrOneD 48475 Specdb::NmrOneD 48476 Specdb::NmrOneD 48477 Specdb::NmrOneD 48478 Specdb::NmrOneD 48479 Specdb::NmrOneD 48480 Specdb::NmrOneD 48481 Specdb::NmrOneD 166366 Specdb::NmrOneD 166564 Specdb::MsMs 2406 Specdb::MsMs 2407 Specdb::MsMs 2408 Specdb::MsMs 6040 Specdb::MsMs 6041 Specdb::MsMs 314908 Specdb::MsMs 314909 Specdb::MsMs 314910 Specdb::MsMs 360754 Specdb::MsMs 360755 Specdb::MsMs 360756 Specdb::MsMs 2262154 Specdb::MsMs 2262155 Specdb::MsMs 2262156 Specdb::MsMs 3079587 Specdb::MsMs 3079588 Specdb::MsMs 3079589 FDB008059 28986 89484 31246 C00035501 4-Heptanone 7078 Wedekind, Edgar. Eienfilhrung in das Studium der organischen Chemie f.ovrddot.ur Studierende der Chemie, Medizin, Pharmazie, Naturwissenschaft, Forstwissenschaft u. s. w. 235 pp. CAN 20:19120 AN 1926:19120