1.0 2011-10-02 06:38:06 UTC 2025-11-19 02:59:06 UTC FDB029790 Musk moskene Flavouring compound [Superscent] C14H18N2O4 278.308 278.126657068 1,1,3,3,5-pentamethyl-4,6-dinitro-2,3-dihydro-1H-indene moskene CC1=C(C=C2C(=C1[N+]([O-])=O)C(C)(C)CC2(C)C)[N+]([O-])=O InChI=1S/C14H18N2O4/c1-8-10(15(17)18)6-9-11(12(8)16(19)20)14(4,5)7-13(9,2)3/h6H,7H2,1-5H3 UHWURQRPEIFIAK-UHFFFAOYSA-N belongs to the class of organic compounds known as indanes. Indanes are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring. Indanes Organic compounds Benzenoids Indanes Aromatic homopolycyclic compounds Hydrocarbon derivatives Nitroaromatic compounds Organic oxides Organic oxoazanium compounds Organonitrogen compounds Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Allyl-type 1,3-dipolar organic compound Aromatic homopolycyclic compound C-nitro compound Hydrocarbon derivative Indane Nitroaromatic compound Organic 1,3-dipolar compound Organic nitro compound Organic nitrogen compound Organic oxide Organic oxoazanium Organic oxygen compound Organonitrogen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound logp 4.37 ALOGPS logs -5.07 ALOGPS solubility 2.35e-03 g/l ALOGPS logp 4.55 ChemAxon pka_strongest_basic -9.6 ChemAxon iupac 1,1,3,3,5-pentamethyl-4,6-dinitro-2,3-dihydro-1H-indene ChemAxon average_mass 278.308 ChemAxon mono_mass 278.126657068 ChemAxon smiles CC1=C(C=C2C(=C1[N+]([O-])=O)C(C)(C)CC2(C)C)[N+]([O-])=O ChemAxon formula C14H18N2O4 ChemAxon inchi InChI=1S/C14H18N2O4/c1-8-10(15(17)18)6-9-11(12(8)16(19)20)14(4,5)7-13(9,2)3/h6H,7H2,1-5H3 ChemAxon inchikey UHWURQRPEIFIAK-UHFFFAOYSA-N ChemAxon polar_surface_area 86.28 ChemAxon refractivity 74.67 ChemAxon polarizability 28.23 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 71745 Specdb::MsMs 71746 Specdb::MsMs 71747 Specdb::MsMs 130479 Specdb::MsMs 130480 Specdb::MsMs 130481 musky