Basic information
- CAS
53907-76-9- Standard SMILES
CCCC(C)(C)C1CO1- InChIKey
UGXGGUUTKZZWBN-UHFFFAOYSA-N- Molecular formula
- C8H16O
- Average molar mass
- 128.21 g/mol
- Monoisotopic mass
- 128.12011513
Names & identifiers
- Preferred name
- 2-(2-Methylpentan-2-yl)oxirane
- IUPAC
- 2-(2-methylpentan-2-yl)oxirane
- English name
- 1,1-Dimethylbutyloxirane
- Molecular formula
- C8H16O
- Molecular weight
- 128.21
Names & synonyms
2-(2-methylpentan-2-yl)oxirane53907-76-91,1-DimethylbutyloxiraneOxirane, (1,1-dimethylbutyl)-SCHEMBL2821699UGXGGUUTKZZWBN-UHFFFAOYSA-N2-(1,1-Dimethylbutyl)oxirane #DTXSID301009858DB-3008471,2-Epoxy-3,3-dimethylhexaneOxirane, 2-(1,1-dimethylbutyl)-
Database identifiers
- CAS
53907-76-9- PubChem CID
- 549896
- DTXSID
DTXSID301009858- Nikkaji
- J121.658I
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 96.7
Physicochemical properties
- Boiling point
- 139 · 139.0±8.0 °C(Predicted)
- Density
- 0.893 · 0.893±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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