1.0 2010-04-08 22:10:23 UTC 2019-11-26 03:07:41 UTC FDB012831 2,2-Dimethyloxirane Isolated from essential oil of Angelica glauca. 2,2-Dimethyloxirane is found in herbs and spices. 1, 1-Dimethylethylene oxide 1, 2-Isobutylene oxide 1,1-Dimethylethylene oxide 1,1-Dimethyloxirane 1,2-Epoxy-2-methyl-propane 1,2-Epoxy-2-methylpropane 1,2-Epoxy-2-methylpropane, 8CI 1,2-Epoxy-isobutane 1,2-Epoxyisobutane 1,2-Isobutylene oxide 2-Methyl-1-propene oxide 2-Methyl-1, 2-epoxypropane 2-Methyl-1,2-epoxypropane 2,2-Dimethyl-oxirane Isobutene oxide Isobutylene epoxide Isobutylene oxide Isobutyleneoxide Oxirane, 2,2-dimethyl- Propane, 1,2-epoxy-2-methyl- C4H8O 72.1057 72.057514878 2,2-dimethyloxirane 2,2-dimethyloxirane 558-30-5 CC1(C)CO1 InChI=1S/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3 GELKGHVAFRCJNA-UHFFFAOYSA-N belongs to the class of organic compounds known as epoxides. Epoxides are compounds containing a cyclic ether with three ring atoms(one oxygen and two carbon atoms). Epoxides Organic compounds Organoheterocyclic compounds Epoxides Aliphatic heteromonocyclic compounds Dialkyl ethers Hydrocarbon derivatives Oxacyclic compounds Aliphatic heteromonocyclic compound Dialkyl ether Ether Hydrocarbon derivative Organic oxygen compound Organooxygen compound Oxacycle Oxirane logp 0.56 ALOGPS logs -0.04 ALOGPS solubility 6.55e+01 g/l ALOGPS logp 0.65 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 2,2-dimethyloxirane ChemAxon average_mass 72.1057 ChemAxon mono_mass 72.057514878 ChemAxon smiles CC1(C)CO1 ChemAxon formula C4H8O ChemAxon inchi InChI=1S/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3 ChemAxon inchikey GELKGHVAFRCJNA-UHFFFAOYSA-N ChemAxon polar_surface_area 12.53 ChemAxon refractivity 20.1 ChemAxon polarizability 8.21 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25018 Specdb::CMs 155220 Specdb::MsIr 6605 Specdb::MsMs 77043 Specdb::MsMs 77044 Specdb::MsMs 77045 Specdb::MsMs 137049 Specdb::MsMs 137050 Specdb::MsMs 137051 Specdb::MsMs 2707151 Specdb::MsMs 2707152 Specdb::MsMs 2707153 Specdb::MsMs 2998624 Specdb::MsMs 2998625 Specdb::MsMs 2998626 Specdb::NmrOneD 126318 Specdb::NmrOneD 126319 Specdb::NmrOneD 126320 Specdb::NmrOneD 126321 Specdb::NmrOneD 126322 Specdb::NmrOneD 126323 Specdb::NmrOneD 126324 Specdb::NmrOneD 126325 Specdb::NmrOneD 126326 Specdb::NmrOneD 126327 Specdb::NmrOneD 126328 Specdb::NmrOneD 126329 Specdb::NmrOneD 126330 Specdb::NmrOneD 126331 Specdb::NmrOneD 126332 Specdb::NmrOneD 126333 Specdb::NmrOneD 126334 Specdb::NmrOneD 126335 Specdb::NmrOneD 126336 Specdb::NmrOneD 126337 HMDB34431 #<Reference:0x000055ce33227cf0> Herbs and Spices Unknown generic