1.0 2020-03-10 17:01:09 UTC 2020-04-22 18:56:02 UTC BMDB0096097 BMDB96097 1,3-Diisopropylbenzene 13-Diisopropyl-benzene 1-Isopropyl-3-methylbenzene 1-Isopropyl-3-methylbenzene (acd/name 4.0) 1-Methyl-3-isopropylbenzene 3-Isopropyltoluene 3-Methyl-1-isopropylbenzene m-Isopropyltoluene C12H18 162.2713 162.140850576 1,3-bis(propan-2-yl)benzene 1,3-diisopropylbenzene 99-62-7 [H]C1=C([H])C(=C([H])C(=C1[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H] InChI=1S/C12H18/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-10H,1-4H3 UNEATYXSUBPPKP-UHFFFAOYSA-N belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety. Organic compounds Benzenoids Benzene and substituted derivatives Cumenes Cumenes Aromatic hydrocarbons Phenylpropanes Unsaturated hydrocarbons Aromatic homomonocyclic compound Aromatic hydrocarbon Cumene Hydrocarbon Phenylpropane Unsaturated hydrocarbon Aromatic homomonocyclic compounds logp 4.71 ALOGPS logs -4.84 ALOGPS logp 4.46 ChemAxon iupac 1,3-bis(propan-2-yl)benzene ChemAxon average_mass 162.2713 ChemAxon mono_mass 162.140850576 ChemAxon smiles [H]C1=C([H])C(=C([H])C(=C1[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H] ChemAxon formula C12H18 ChemAxon inchi InChI=1S/C12H18/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-10H,1-4H3 ChemAxon inchikey UNEATYXSUBPPKP-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 54.44 ChemAxon polarizability 20.7 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 98199 Specdb::MsMs 98200 Specdb::MsMs 98201 Specdb::MsMs 163071 Specdb::MsMs 163072 Specdb::MsMs 163073 Specdb::MsMs 2670417 Specdb::MsMs 2670418 Specdb::MsMs 2670419 Specdb::MsMs 3008377 Specdb::MsMs 3008378 Specdb::MsMs 3008379 Specdb::CMs 9703 Specdb::CMs 30011 Specdb::CMs 100062 Specdb::CMs 138054 Specdb::CMs 145788 FDB111646 7170 7450 1,3-Diisopropylbenzene