Isobutylene oxide
PubChem CID: 11208
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| Compound Synonyms | Isobutylene oxide, 558-30-5, 2,2-DIMETHYLOXIRANE, 1,2-Epoxy-2-methylpropane, Isobutene oxide, Isobutyleneoxide, Isobutylene epoxide, Oxirane, 2,2-dimethyl-, 1,2-Epoxyisobutane, 1,1-Dimethyloxirane, 2-Methyl-1,2-epoxypropane, 1,1-Dimethylethylene oxide, 1,2-Isobutylene oxide, 2-Methyl-1-propene oxide, 1,2-Epoxy-isobutane, dimethyloxirane, 2,2-Dimethyl-oxirane, CCRIS 4380, 2-Methylpropylene Oxide, Propane, 1,2-epoxy-2-methyl-, EINECS 209-193-8, UJ14MJ1WG0, NSC 24249, BRN 0102408, NSC-24249, UNII-UJ14MJ1WG0, 1,2-epoxy-2-methyl-propane, CCRIS-4380, 2-METHYL-1-PROPENOXIDE, DTXSID7060330, GELKGHVAFRCJNA-UHFFFAOYSA-, EC 209-193-8, 5-17-01-00058 (Beilstein Handbook Reference), MFCD00066354, METHYL-1,2-EPOXYPROPANE, 2-, ETHYLENE OXIDE, .ALPHA.,.ALPHA.-DIMETHYL-, isobutylenoxide, 1,2Epoxyisobutane, 2,2Dimethyloxirane, 2,2-dimethyloxiran, Oxirane,2-dimethyl-, 2Methyl1propene oxide, 1,2Isobutylene oxide, 2, 2-dimethyloxirane, 2,2-dimethyl oxirane, Oxirane, 2,2dimethyl, 1,2Epoxy2methylpropane, 1, 2-Isobutylene oxide, 1,1Dimethylethylene oxide, Propane, 1,2epoxy2methyl, 2-MEP, Propane,2-epoxy-2-methyl-, 1, 1-Dimethylethylene oxide, 2-Methyl-1, 2-epoxypropane, DTXCID6041971, CHEBI:193943, 1,2-Epoxy-2-methylpropane, 8CI, NSC24249, 1,2-Epoxy-2-methylpropane, 97%, AKOS009157227, FI75926, DB-016263, ETHYLENE OXIDE, ALPHA,ALPHA-DIMETHYL-, I0323, NS00001765, EN300-36458, 1,2-Epoxy-2-methylpropane, 2,2-Dimethyloxirane, A830830, 25068-10-4 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 12.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC1 |
| Np Classifier Class | Menthane monoterpenoids, Monocyclic monoterpenoids |
| Deep Smiles | CCC)OC3 |
| Heavy Atom Count | 5.0 |
| Classyfire Class | Epoxides |
| Description | Isolated from essential oil of Angelica glauca. 2,2-Dimethyloxirane is found in herbs and spices. |
| Scaffold Graph Node Level | C1CO1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 47.6 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,2-dimethyloxirane |
| Class | Epoxides |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 0.5 |
| Superclass | Organoheterocyclic compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H8O |
| Scaffold Graph Node Bond Level | C1CO1 |
| Inchi Key | GELKGHVAFRCJNA-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 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-, 2-MEP, 1,2-Epoxy-2-methylpropane, 8ci, 2,2-dimethyloxirane |
| Esol Class | Very soluble |
| Functional Groups | CC1(C)CO1 |
| Compound Name | Isobutylene oxide |
| Kingdom | Organic compounds |
| Exact Mass | 72.0575 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 72.0575 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 72.11 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3 |
| Smiles | CC1(CO1)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Epoxides |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Anisomeles Indica (Plant) Rel Props:Reference:ISBN:9788185042145