1.02010-04-08 22:08:51 UTC2018-05-28 23:26:21 UTCFDB009910L-Monomenthyl glutarateIt is used as a food additive .C15H26O4270.369270.1831093175-{[(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-5-oxopentanoic acid5-{[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]oxy}-5-oxopentanoic acid220621-22-7[H][C@@]1(C)CC[C@@]([H])(C(C)C)[C@@]([H])(C1)OC(=O)CCCC(O)=OInChI=1S/C15H26O4/c1-10(2)12-8-7-11(3)9-13(12)19-15(18)6-4-5-14(16)17/h10-13H,4-9H2,1-3H3,(H,16,17)/t11-,12+,13-/m1/s1CTMTYSVTTGVYAW-FRRDWIJNSA-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 acid estersCarboxylic acidsDicarboxylic acids and derivativesFatty acid estersHydrocarbon derivativesMonocyclic monoterpenoidsOrganic oxidesAliphatic homomonocyclic compoundCarbonyl groupCarboxylic acidCarboxylic acid derivativeCarboxylic acid esterDicarboxylic acid or derivativesFatty acid esterFatty acylHydrocarbon derivativeMonocyclic monoterpenoidOrganic oxideOrganic oxygen compoundOrganooxygen compoundP-menthane monoterpenoidlogp3.14logs-3.68solubility5.66e-02 g/llogp3.37pka_strongest_acidic4.07pka_strongest_basic-7iupac5-{[(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-5-oxopentanoic acidaverage_mass270.369mono_mass270.183109317smiles[H][C@@]1(C)CC[C@@]([H])(C(C)C)[C@@]([H])(C1)OC(=O)CCCC(O)=OformulaC15H26O4inchiInChI=1S/C15H26O4/c1-10(2)12-8-7-11(3)9-13(12)19-15(18)6-4-5-14(16)17/h10-13H,4-9H2,1-3H3,(H,16,17)/t11-,12+,13-/m1/s1inchikeyCTMTYSVTTGVYAW-FRRDWIJNSA-Npolar_surface_area63.6refractivity72.09polarizability31.09rotatable_bond_count7acceptor_count3donor_count1physiological_charge-1formal_charge0Specdb::MsMs108768Specdb::MsMs108769Specdb::MsMs108770Specdb::MsMs176073Specdb::MsMs176074Specdb::MsMs176075Specdb::MsMs3605065Specdb::MsMs3605066Specdb::MsMs3605067Specdb::MsMs3606158Specdb::MsMs3606159Specdb::MsMs3606160mentholminty