1.0 2010-04-08 22:07:56 UTC 2015-07-20 22:19:03 UTC FDB008139 1-Methyl-1,3-cyclohexadiene Flavouring ingredient 1-Methylcyclohexa-1,3-diene 1,3-Cyclohexadiene, 1-methyl- 2,3-Dihydrotoluene 5,6-Dihydrotoluene Cyclohexadiene, methyl- Methyl-cyclohexadiene Methylcyclohexadiene C7H10 94.1543 94.07825032 1-methylcyclohexa-1,3-diene 1-methylcyclohexa-1,3-diene 1489-56-1 CC1=CC=CCC1 InChI=1S/C7H10/c1-7-5-3-2-4-6-7/h2-3,5H,4,6H2,1H3 QMFJIJFIHIDENY-UHFFFAOYSA-N belongs to the class of organic compounds known as branched unsaturated hydrocarbons. These are hydrocarbons that contains one or more unsaturated carbon atoms, and an aliphatic branch. Branched unsaturated hydrocarbons Organic compounds Hydrocarbons Unsaturated hydrocarbons Branched unsaturated hydrocarbons Aliphatic homomonocyclic compounds Cyclic olefins Unsaturated aliphatic hydrocarbons Aliphatic homomonocyclic compound Branched unsaturated hydrocarbon Cyclic olefin Olefin Unsaturated aliphatic hydrocarbon logp 2.70 ALOGPS logs -1.77 ALOGPS solubility 1.59e+00 g/l ALOGPS logp 2.19 ChemAxon iupac 1-methylcyclohexa-1,3-diene ChemAxon average_mass 94.1543 ChemAxon mono_mass 94.07825032 ChemAxon smiles CC1=CC=CCC1 ChemAxon formula C7H10 ChemAxon inchi InChI=1S/C7H10/c1-7-5-3-2-4-6-7/h2-3,5H,4,6H2,1H3 ChemAxon inchikey QMFJIJFIHIDENY-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 34.12 ChemAxon polarizability 11.61 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23003 Specdb::CMs 149261 Specdb::MsMs 60792 Specdb::MsMs 60793 Specdb::MsMs 60794 Specdb::MsMs 117201 Specdb::MsMs 117202 Specdb::MsMs 117203 Specdb::MsMs 2808476 Specdb::MsMs 2808477 Specdb::MsMs 2808478 Specdb::MsMs 2899908 Specdb::MsMs 2899909 Specdb::MsMs 2899910 Specdb::NmrOneD 164549 Specdb::NmrOneD 164550 Specdb::NmrOneD 164551 Specdb::NmrOneD 164552 Specdb::NmrOneD 164553 Specdb::NmrOneD 164554 Specdb::NmrOneD 164555 Specdb::NmrOneD 164556 Specdb::NmrOneD 164557 Specdb::NmrOneD 164558 Specdb::NmrOneD 164559 Specdb::NmrOneD 164560 Specdb::NmrOneD 164561 Specdb::NmrOneD 164562 Specdb::NmrOneD 164563 Specdb::NmrOneD 164564 Specdb::NmrOneD 164565 Specdb::NmrOneD 164566 Specdb::NmrOneD 164567 Specdb::NmrOneD 164568 HMDB31532 #<Reference:0x000055ce3245e1a0> fruity