1.02010-04-08 22:12:17 UTC2018-05-29 01:24:59 UTCFDB0161714-Isopropyl-3-cyclohexene-1-carboxylic acidIt is used as a food additive 1,2,5,6-Tetrahydrocuminic acid4-(1-Methylethyl)-3-cyclohexene-1-carboxylic acid, 9CIFEMA 3731p-Menth-3-ene-7-oic acidC10H16O2168.2328168.1150297564-(propan-2-yl)cyclohex-3-ene-1-carboxylic acid4-isopropylcyclohex-3-ene-1-carboxylic acid56424-87-4CC(C)C1=CCC(CC1)C(O)=OInChI=1S/C10H16O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3,7,9H,4-6H2,1-2H3,(H,11,12)SVVRHSSIDPLFOP-UHFFFAOYSA-N belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes.Menthane monoterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsMonoterpenoidsAliphatic homomonocyclic compoundsCarbonyl compoundsCarboxylic acidsHydrocarbon derivativesMonocarboxylic acids and derivativesMonocyclic monoterpenoidsOrganic oxidesAliphatic homomonocyclic compoundCarbonyl groupCarboxylic acidCarboxylic acid derivativeHydrocarbon derivativeMonocarboxylic acid or derivativesMonocyclic monoterpenoidOrganic oxideOrganic oxygen compoundOrganooxygen compoundP-menthane monoterpenoidlogp2.58logs-1.79solubility2.76e+00 g/llogp2.5pka_strongest_acidic4.94iupac4-(propan-2-yl)cyclohex-3-ene-1-carboxylic acidaverage_mass168.2328mono_mass168.115029756smilesCC(C)C1=CCC(CC1)C(O)=OformulaC10H16O2inchiInChI=1S/C10H16O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3,7,9H,4-6H2,1-2H3,(H,11,12)inchikeySVVRHSSIDPLFOP-UHFFFAOYSA-Npolar_surface_area37.3refractivity48.39polarizability19.03rotatable_bond_count2acceptor_count2donor_count1physiological_charge-1formal_charge0Specdb::CMs10550Specdb::CMs45253Specdb::CMs135910Specdb::CMs143644Specdb::MsIr7444Specdb::MsIr7445Specdb::MsIr7446Specdb::NmrOneD139290Specdb::NmrOneD139291Specdb::NmrOneD139292Specdb::NmrOneD139293Specdb::NmrOneD139294Specdb::NmrOneD139295Specdb::NmrOneD139296Specdb::NmrOneD139297Specdb::NmrOneD139298Specdb::NmrOneD139299Specdb::NmrOneD139300Specdb::NmrOneD139301Specdb::NmrOneD139302Specdb::NmrOneD139303Specdb::NmrOneD139304Specdb::NmrOneD139305Specdb::NmrOneD139306Specdb::NmrOneD139307Specdb::NmrOneD139308Specdb::NmrOneD139309Specdb::MsMs70272Specdb::MsMs70273Specdb::MsMs70274Specdb::MsMs128736Specdb::MsMs128737Specdb::MsMs128738Specdb::MsMs2390236Specdb::MsMs2390237Specdb::MsMs2390238Specdb::MsMs2575887Specdb::MsMs2575888Specdb::MsMs2575889