2-Methyl-2-vinyloxirane
PubChem CID: 92166
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| Compound Synonyms | 2-Methyl-2-vinyloxirane, 1838-94-4, Isoprene monoxide, 2-ethenyl-2-methyloxirane, 3,4-Epoxy-3-methyl-1-butene, CCRIS 5685, Oxirane, 2-ethenyl-2-methyl-, NSC 48598, O364AQJ1K5, ISOPRENE EPOXIDE, NSC-48598, 2-VINYLPROPYLENE OXIDE, 1,2-epoxy-2-methyl-3-butene, 2-Methyl-2-vinyloxirane, 95%, DTXSID701031061, 3,4-EPOXY-3-METHYL-1-BUTENE, (+/-)-, UNII-O364AQJ1K5, MFCD00075225, Monoepoxide of isoprene, EPOX-I, 3,4Epoxy3methyl1butene, Oxirane, 2ethenyl2methyl, 2-methyl-2-vinyl-oxirane, DTXCID10835244, NSC48598, AKOS015903306, FI172304, DB-116772, NS00121452, EN300-130159, Q27285260, Z1255379160, 628-136-1 |
|---|---|
| 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 | Acyclic monoterpenoids |
| Deep Smiles | CCCO3))C=C |
| Heavy Atom Count | 6.0 |
| Classyfire Class | Epoxides |
| Scaffold Graph Node Level | C1CO1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 78.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-ethenyl-2-methyloxirane |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 0.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H8O |
| Scaffold Graph Node Bond Level | C1CO1 |
| Inchi Key | FVCDMHWSPLRYAB-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 2-methyl-2-vinyloxirane |
| Esol Class | Very soluble |
| Functional Groups | C=CC1(C)CO1 |
| Compound Name | 2-Methyl-2-vinyloxirane |
| Exact Mass | 84.0575 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 84.0575 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 84.12 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C5H8O/c1-3-5(2)4-6-5/h3H,1,4H2,2H3 |
| Smiles | CC1(CO1)C=C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Actiniopteris Radiata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2013.764185