1.0 2010-04-08 22:11:33 UTC 2019-11-26 03:10:58 UTC FDB014929 (R)-2-Nitro-p-mentha-1,5-diene Constituent of Angelica archangelica (angelica). (R)-2-Nitro-p-mentha-1,5-diene is found in fats and oils, herbs and spices, and green vegetables. C10H15NO2 181.2316 181.110278729 (5R)-2-methyl-1-nitro-5-(propan-2-yl)cyclohexa-1,3-diene (5R)-5-isopropyl-2-methyl-1-nitrocyclohexa-1,3-diene [H][C@@]1(CC(=C(C)C=C1)N(=O)=O)C(C)C InChI=1S/C10H15NO2/c1-7(2)9-5-4-8(3)10(6-9)11(12)13/h4-5,7,9H,6H2,1-3H3/t9-/m1/s1 RIPRCNJJZGOFLC-SECBINFHSA-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 C-nitro compounds Hydrocarbon derivatives Monocyclic monoterpenoids Organic oxides Organic oxoazanium compounds Organonitrogen compounds Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Aliphatic homomonocyclic compound Allyl-type 1,3-dipolar organic compound C-nitro compound Hydrocarbon derivative Monocyclic monoterpenoid Organic 1,3-dipolar compound Organic nitro compound Organic nitrogen compound Organic oxide Organic oxoazanium Organic oxygen compound Organonitrogen compound Organopnictogen compound P-menthane monoterpenoid Propargyl-type 1,3-dipolar organic compound Liquid logp 2.37 ALOGPS logs -2.75 ALOGPS solubility 3.24e-01 g/l ALOGPS logp 2.39 ChemAxon iupac (5R)-2-methyl-1-nitro-5-(propan-2-yl)cyclohexa-1,3-diene ChemAxon average_mass 181.2316 ChemAxon mono_mass 181.110278729 ChemAxon smiles [H][C@@]1(CC(=C(C)C=C1)N(=O)=O)C(C)C ChemAxon formula C10H15NO2 ChemAxon inchi InChI=1S/C10H15NO2/c1-7(2)9-5-4-8(3)10(6-9)11(12)13/h4-5,7,9H,6H2,1-3H3/t9-/m1/s1 ChemAxon inchikey RIPRCNJJZGOFLC-SECBINFHSA-N ChemAxon polar_surface_area 45.82 ChemAxon refractivity 54.19 ChemAxon polarizability 19.85 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19291 Specdb::CMs 163194 Specdb::MsIr 7088 Specdb::MsIr 7089 Specdb::MsMs 48342 Specdb::MsMs 48343 Specdb::MsMs 48344 Specdb::MsMs 160659 Specdb::MsMs 160660 Specdb::MsMs 160661 Specdb::MsMs 2435938 Specdb::MsMs 2435939 Specdb::MsMs 2435940 Specdb::MsMs 2525907 Specdb::MsMs 2525908 Specdb::MsMs 2525909 HMDB36090 #<Reference:0x000055ce31df6448> Fats and oils Unknown generic Green vegetables Unknown generic Herbs and Spices Unknown generic