1.0 2010-04-08 22:11:16 UTC 2025-11-19 00:46:26 UTC FDB014429 (6alpha,7alpha,10alpha)-1(5),3-Aromadendradiene Constituent of Tolu balsam (Myroxylon balsamum variety balsamum). Flavouring agent 1(5),3-Aromadendradiene C15H22 202.3352 202.172150704 1,1,4,7-tetramethyl-1H,1aH,2H,3H,4H,5H,7bH-cyclopropa[e]azulene 1,1,4,7-tetramethyl-1aH,2H,3H,4H,5H,7bH-cyclopropa[e]azulene 111778-06-4 CC1CCC2C(C3=C1CC=C3C)C2(C)C InChI=1S/C15H22/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h5,9,12,14H,6-8H2,1-4H3 YBLUUFTVJWBMRJ-UHFFFAOYSA-N belongs to the class of organic compounds known as azulenes. These are polycyclic aromatic compounds containing the azulene skeleton, which consists of the cyclopentadiene ring fused to a cycloheptadiene ring. Azulenes Organic compounds Hydrocarbons Unsaturated hydrocarbons Olefins Aliphatic homopolycyclic compounds Branched unsaturated hydrocarbons Polycyclic hydrocarbons Unsaturated aliphatic hydrocarbons Aliphatic homopolycyclic compound Azulene Branched unsaturated hydrocarbon Polycyclic hydrocarbon Unsaturated aliphatic hydrocarbon logp 4.70 ALOGPS logs -3.57 ALOGPS solubility 5.50e-02 g/l ALOGPS logp 3.64 ChemAxon pka_strongest_acidic 15.94 ChemAxon iupac 1,1,4,7-tetramethyl-1H,1aH,2H,3H,4H,5H,7bH-cyclopropa[e]azulene ChemAxon average_mass 202.3352 ChemAxon mono_mass 202.172150704 ChemAxon smiles CC1CCC2C(C3=C1CC=C3C)C2(C)C ChemAxon formula C15H22 ChemAxon inchi InChI=1S/C15H22/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h5,9,12,14H,6-8H2,1-4H3 ChemAxon inchikey YBLUUFTVJWBMRJ-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 66.35 ChemAxon polarizability 25.59 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18986 Specdb::CMs 133235 Specdb::CMs 140969 Specdb::MsMs 43377 Specdb::MsMs 43378 Specdb::MsMs 43379 Specdb::MsMs 148347 Specdb::MsMs 148348 Specdb::MsMs 148349 Specdb::MsMs 2314439 Specdb::MsMs 2314440 Specdb::MsMs 2314441 Specdb::MsMs 2621330 Specdb::MsMs 2621331 Specdb::MsMs 2621332 HMDB35707 #<Reference:0x000055ce30566f68>