1.0 2010-04-08 22:09:33 UTC 2015-07-20 22:39:09 UTC FDB011254 2-Isopropyl-5-methylfuran Important natural flavour 2-Methyl-5-(1-methylethyl)furan 2-methyl-5-propan-2-yl-furan C8H12O 124.1803 124.088815006 2-methyl-5-(propan-2-yl)furan 2-isopropyl-5-methylfuran 10504-05-9 CC(C)C1=CC=C(C)O1 InChI=1S/C8H12O/c1-6(2)8-5-4-7(3)9-8/h4-6H,1-3H3 JYOVNNBTWWYRGU-UHFFFAOYSA-N belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. Heteroaromatic compounds Organic compounds Organoheterocyclic compounds Heteroaromatic compounds Aromatic heteromonocyclic compounds Furans Hydrocarbon derivatives Organooxygen compounds Oxacyclic compounds Aromatic heteromonocyclic compound Furan Heteroaromatic compound Hydrocarbon derivative Organic oxygen compound Organooxygen compound Oxacycle logp 3.17 ALOGPS logs -2.48 ALOGPS solubility 4.13e-01 g/l ALOGPS logp 2.4 ChemAxon pka_strongest_basic -2.3 ChemAxon iupac 2-methyl-5-(propan-2-yl)furan ChemAxon average_mass 124.1803 ChemAxon mono_mass 124.088815006 ChemAxon smiles CC(C)C1=CC=C(C)O1 ChemAxon formula C8H12O ChemAxon inchi InChI=1S/C8H12O/c1-6(2)8-5-4-7(3)9-8/h4-6H,1-3H3 ChemAxon inchikey JYOVNNBTWWYRGU-UHFFFAOYSA-N ChemAxon polar_surface_area 13.14 ChemAxon refractivity 37.87 ChemAxon polarizability 14.96 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11082 Specdb::CMs 169346 Specdb::MsIr 6046 Specdb::MsIr 6047 Specdb::MsMs 70113 Specdb::MsMs 70114 Specdb::MsMs 70115 Specdb::MsMs 128547 Specdb::MsMs 128548 Specdb::MsMs 128549 Specdb::MsMs 2262931 Specdb::MsMs 2262932 Specdb::MsMs 2262933 Specdb::MsMs 3078732 Specdb::MsMs 3078733 Specdb::MsMs 3078734 HMDB33238 #<Reference:0x000055ce2f56e278>