1.0 2020-04-06 11:02:54 UTC 2020-04-06 23:43:20 UTC FDB111655 2-Methyl-4-heptanone C8H16O 128.215 128.120115135 2-methylheptan-4-one 4-heptanone, 2-methyl- CCCC(=O)CC(C)C InChI=1S/C8H16O/c1-4-5-8(9)6-7(2)3/h7H,4-6H2,1-3H3 AKRJXOYALOGLHQ-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. 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 logp 2.39 ALOGPS logs -1.71 ALOGPS solubility 2.52e+00 g/l ALOGPS logp 2.68 ChemAxon pka_strongest_basic -7.4 ChemAxon iupac 2-methylheptan-4-one ChemAxon average_mass 128.215 ChemAxon mono_mass 128.120115135 ChemAxon smiles CCCC(=O)CC(C)C ChemAxon formula C8H16O ChemAxon inchi InChI=1S/C8H16O/c1-4-5-8(9)6-7(2)3/h7H,4-6H2,1-3H3 ChemAxon inchikey AKRJXOYALOGLHQ-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 39.2 ChemAxon polarizability 16.05 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 134032 Specdb::CMs 141766 Specdb::NmrOneD 99998 Specdb::NmrOneD 99999 Specdb::NmrOneD 100000 Specdb::NmrOneD 100001 Specdb::NmrOneD 100002 Specdb::NmrOneD 100003 Specdb::NmrOneD 100004 Specdb::NmrOneD 100005 Specdb::NmrOneD 100006 Specdb::NmrOneD 100007 Specdb::NmrOneD 100008 Specdb::NmrOneD 100009 Specdb::NmrOneD 100010 Specdb::NmrOneD 100011 Specdb::NmrOneD 100012 Specdb::NmrOneD 100013 Specdb::NmrOneD 100014 Specdb::NmrOneD 100015 Specdb::NmrOneD 100016 Specdb::NmrOneD 100017 Specdb::MsIr 2964 Specdb::MsIr 2965 Specdb::MsMs 2422776 Specdb::MsMs 2422777 Specdb::MsMs 2422778 Specdb::MsMs 2512740 Specdb::MsMs 2512741 Specdb::MsMs 2512742 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823