1.0 2011-05-05 18:01:57 UTC 2018-05-28 20:05:15 UTC FDB021834 (+)-Neoisomenthol Found in many essential oils [CCD] (+)-Neoisomenthol (1a,2a,5a)-5-Methyl-2-(1-methylethyl)cyclohexanol (1alpha,2alpha,5alpha)-5-Methyl-2-(1-methylethyl)cyclohexanol (1R,3R,4R)-Form (1α,2α,5α)-5-methyl-2-(1-methylethyl)cyclohexanol Iso-neomenthol p-Menthan-3-ol; (1R,3R,4R)-form C10H20O 156.2652 156.151415262 (1R,2R,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol neoisomenthol 20752-34-5 CC(C)[C@H]1CC[C@@H](C)C[C@H]1O InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9-,10-/m1/s1 NOOLISFMXDJSKH-OPRDCNLKSA-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 monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic homomonocyclic compounds Cyclic alcohols and derivatives Cyclohexanols Hydrocarbon derivatives Monocyclic monoterpenoids Alcohol Aliphatic homomonocyclic compound Cyclic alcohol Cyclohexanol Hydrocarbon derivative Monocyclic monoterpenoid Organic oxygen compound Organooxygen compound P-menthane monoterpenoid Secondary alcohol Menthane monoterpenoids p-menthan-3-ol Liquid logp 2.68 ALOGPS logs -2.45 ALOGPS solubility 5.58e-01 g/l ALOGPS melting_point Mp -8° logp 2.66 ChemAxon pka_strongest_acidic 19.55 ChemAxon pka_strongest_basic -0.81 ChemAxon iupac (1R,2R,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol ChemAxon average_mass 156.2652 ChemAxon mono_mass 156.151415262 ChemAxon smiles CC(C)[C@H]1CC[C@@H](C)C[C@H]1O ChemAxon formula C10H20O ChemAxon inchi InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9-,10-/m1/s1 ChemAxon inchikey NOOLISFMXDJSKH-OPRDCNLKSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 47.45 ChemAxon polarizability 19.45 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13435 Specdb::CMs 47417 Specdb::CMs 130407 Specdb::CMs 138141 Specdb::MsMs 295579 Specdb::MsMs 295580 Specdb::MsMs 295581 Specdb::MsMs 336619 Specdb::MsMs 336620 Specdb::MsMs 336621 Specdb::MsMs 2832480 Specdb::MsMs 2832481 Specdb::MsMs 2832482 Specdb::MsMs 2850448 Specdb::MsMs 2850449 Specdb::MsMs 2850450 HMDB41628 #<Reference:0x000055ce315c9b30>