1.0 2010-04-08 22:11:33 UTC 2019-11-26 03:10:58 UTC FDB014930 trans-6-Nitro-p-mentha-1(7),2-diene Constituent of Angelica archangelica (angelica). trans-6-Nitro-p-mentha-1(7),2-diene is found in fats and oils, herbs and spices, and green vegetables. (4S-trans)-3-Methylene-6-(1-methylethyl)-4-nitrocyclohexene 6-Nitro-p-mentha-1(7),2-diene; trans-form C10H15NO2 181.2316 181.110278729 3-methylidene-4-nitro-6-(propan-2-yl)cyclohex-1-ene 6-isopropyl-3-methylidene-4-nitrocyclohex-1-ene 73041-75-5 CC(C)C1CC(C(=C)C=C1)N(=O)=O InChI=1S/C10H15NO2/c1-7(2)9-5-4-8(3)10(6-9)11(12)13/h4-5,7,9-10H,3,6H2,1-2H3 VJPVONZUZIQQIH-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 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 logp 2.72 ALOGPS logs -2.94 ALOGPS solubility 2.08e-01 g/l ALOGPS logp 2.57 ChemAxon pka_strongest_acidic 10.45 ChemAxon iupac 3-methylidene-4-nitro-6-(propan-2-yl)cyclohex-1-ene ChemAxon average_mass 181.2316 ChemAxon mono_mass 181.110278729 ChemAxon smiles CC(C)C1CC(C(=C)C=C1)N(=O)=O ChemAxon formula C10H15NO2 ChemAxon inchi InChI=1S/C10H15NO2/c1-7(2)9-5-4-8(3)10(6-9)11(12)13/h4-5,7,9-10H,3,6H2,1-2H3 ChemAxon inchikey VJPVONZUZIQQIH-UHFFFAOYSA-N ChemAxon polar_surface_area 45.82 ChemAxon refractivity 52.59 ChemAxon polarizability 19.66 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11118 Specdb::CMs 150862 Specdb::MsMs 64797 Specdb::MsMs 64798 Specdb::MsMs 64799 Specdb::MsMs 122055 Specdb::MsMs 122056 Specdb::MsMs 122057 Specdb::MsMs 2344685 Specdb::MsMs 2344686 Specdb::MsMs 2344687 Specdb::MsMs 2591005 Specdb::MsMs 2591006 Specdb::MsMs 2591007 HMDB35195 #<Reference:0x000055ce32267040> Fats and oils Unknown generic Green vegetables Unknown generic Herbs and Spices Unknown generic