1.0 2010-04-08 22:11:32 UTC 2019-11-26 03:10:53 UTC FDB014900 Pulegenone Found in citronella and peppermint oils 5-Methyl-2-(1-methylethyl)-2-cyclopenten-1-one, 9CI Pulegenone C9H14O 138.2069 138.10446507 5-methyl-2-(propan-2-yl)cyclopent-2-en-1-one 2-isopropyl-5-methylcyclopent-2-en-1-one 5587-79-1 CC(C)C1=CCC(C)C1=O InChI=1S/C9H14O/c1-6(2)8-5-4-7(3)9(8)10/h5-7H,4H2,1-3H3 JSIJNCSVIGPGDV-UHFFFAOYSA-N belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety. Cyclic ketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic homomonocyclic compounds Hydrocarbon derivatives Organic oxides Aliphatic homomonocyclic compound Cyclic ketone Hydrocarbon derivative Organic oxide logp 2.55 ALOGPS logs -1.54 ALOGPS solubility 3.94e+00 g/l ALOGPS logp 2.71 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 5-methyl-2-(propan-2-yl)cyclopent-2-en-1-one ChemAxon average_mass 138.2069 ChemAxon mono_mass 138.10446507 ChemAxon smiles CC(C)C1=CCC(C)C1=O ChemAxon formula C9H14O ChemAxon inchi InChI=1S/C9H14O/c1-6(2)8-5-4-7(3)9(8)10/h5-7H,4H2,1-3H3 ChemAxon inchikey JSIJNCSVIGPGDV-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 42.82 ChemAxon polarizability 16.37 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14573 Specdb::CMs 135290 Specdb::CMs 143024 Specdb::MsIr 7075 Specdb::MsIr 7076 Specdb::MsMs 65538 Specdb::MsMs 65539 Specdb::MsMs 65540 Specdb::MsMs 122952 Specdb::MsMs 122953 Specdb::MsMs 122954 Specdb::MsMs 2691428 Specdb::MsMs 2691429 Specdb::MsMs 2691430 Specdb::MsMs 2991011 Specdb::MsMs 2991012 Specdb::MsMs 2991013 Specdb::NmrOneD 133438 Specdb::NmrOneD 133439 Specdb::NmrOneD 133440 Specdb::NmrOneD 133441 Specdb::NmrOneD 133442 Specdb::NmrOneD 133443 Specdb::NmrOneD 133444 Specdb::NmrOneD 133445 Specdb::NmrOneD 133446 Specdb::NmrOneD 133447 Specdb::NmrOneD 133448 Specdb::NmrOneD 133449 Specdb::NmrOneD 133450 Specdb::NmrOneD 133451 Specdb::NmrOneD 133452 Specdb::NmrOneD 133453 Specdb::NmrOneD 133454 Specdb::NmrOneD 133455 Specdb::NmrOneD 133456 Specdb::NmrOneD 133457 HMDB36069 #<Reference:0x000055ce31f20c10> Herbs and Spices Unknown generic