1.0 2010-04-08 22:14:42 UTC 2019-11-26 03:18:10 UTC FDB019961 3,5,5-Trimethyl-2-cyclopenten-1-one Top note of Osmanthus fragrans (sweet osmanthus). 3,5,5-Trimethyl-2-cyclopenten-1-one is found in herbs and spices. 2-Cyclopenten-1-one, 3,5,5-trimethyl- 3,5,5-Trimethyl-2-cyclopentenone 3,5,5-Trimethyl-cyclopent-2-en-1-one C8H12O 124.1803 124.088815006 3,5,5-trimethylcyclopent-2-en-1-one 3,5,5-trimethylcyclopent-2-en-1-one 24156-95-4 CC1=CC(=O)C(C)(C)C1 InChI=1S/C8H12O/c1-6-4-7(9)8(2,3)5-6/h4H,5H2,1-3H3 AVXVDNJFGZNVAB-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 1.56 ALOGPS logs -1.26 ALOGPS solubility 6.87e+00 g/l ALOGPS logp 2.38 ChemAxon pka_strongest_acidic 18.25 ChemAxon pka_strongest_basic -4.7 ChemAxon iupac 3,5,5-trimethylcyclopent-2-en-1-one ChemAxon average_mass 124.1803 ChemAxon mono_mass 124.088815006 ChemAxon smiles CC1=CC(=O)C(C)(C)C1 ChemAxon formula C8H12O ChemAxon inchi InChI=1S/C8H12O/c1-6-4-7(9)8(2,3)5-6/h4H,5H2,1-3H3 ChemAxon inchikey AVXVDNJFGZNVAB-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 38.1 ChemAxon polarizability 14.41 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11312 Specdb::CMs 153177 Specdb::MsIr 8837 Specdb::MsIr 8838 Specdb::NmrOneD 39242 Specdb::NmrOneD 39243 Specdb::NmrOneD 39244 Specdb::NmrOneD 39245 Specdb::NmrOneD 39246 Specdb::NmrOneD 39247 Specdb::NmrOneD 39248 Specdb::NmrOneD 39249 Specdb::NmrOneD 39250 Specdb::NmrOneD 39251 Specdb::NmrOneD 39252 Specdb::NmrOneD 39253 Specdb::NmrOneD 39254 Specdb::NmrOneD 39255 Specdb::NmrOneD 39256 Specdb::NmrOneD 39257 Specdb::NmrOneD 39258 Specdb::NmrOneD 39259 Specdb::NmrOneD 39260 Specdb::NmrOneD 39261 Specdb::MsMs 290983 Specdb::MsMs 290984 Specdb::MsMs 290985 Specdb::MsMs 330787 Specdb::MsMs 330788 Specdb::MsMs 330789 Specdb::MsMs 2405864 Specdb::MsMs 2405865 Specdb::MsMs 2405866 Specdb::MsMs 2529642 Specdb::MsMs 2529643 Specdb::MsMs 2529644 HMDB40246 #<Reference:0x000055ce3250d0d8> Herbs and Spices Unknown generic