(1-Methylbutyl)oxirane
Basic information
- CAS
53229-39-3- Standard SMILES
CCCC(C)C1CO1- InChIKey
YJNBGESTCBYXQO-UHFFFAOYSA-N- Molecular formula
- C7H14O
- Average molar mass
- 114.19 g/mol
- Monoisotopic mass
- 114.10446507
Names & identifiers
- Preferred name
- (1-Methylbutyl)oxirane
- IUPAC
- 2-pentan-2-yloxirane
- English name
- Oxirane, (1-methylbutyl)-
- Molecular formula
- C7H14O
- Molecular weight
- 114.19
Names & synonyms
53229-39-3(1-METHYLBUTYL)OXIRANERefChem:3923852-(pentan-2-yl)oxirane2-pentan-2-yloxiraneOxirane, (1-methylbutyl)-2-(1-Methylbutyl)oxirane #SCHEMBL2397958SCHEMBL7696374DTXSID00967780YJNBGESTCBYXQO-UHFFFAOYSA-NAKOS012068616
Show more names
1-Methylbutyloxirane1,2-Epoxy-3-methylhexaneOxirane, 2-(1-methylbutyl)-
EN300-1250765
Database identifiers
- CAS
53229-39-3- PubChem CID
- 40691
- DTXSID
DTXSID00967780- Nikkaji
- J121.649J
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 70.8
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Ethers, Other
Physicochemical properties
- Boiling point
- 125 · 125.0±8.0 °C(Predicted)
- Density
- 0.882 · 0.882±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Compound notes
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