4-(3,3-Dimethyloxiran-2-yl)butan-2-one
Basic information
- CAS
16262-93-4- Standard SMILES
CC(=O)CCC1OC1(C)C- InChIKey
LPUBILBYSYGSER-UHFFFAOYSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Names & identifiers
- Preferred name
- 4-(3,3-Dimethyloxiran-2-yl)butan-2-one
- IUPAC
- 4-(3,3-dimethyloxiran-2-yl)butan-2-one
Names & synonyms
4-(3,3-dimethyloxiran-2-yl)butan-2-one16262-93-4DTXSID80343220RefChem:1069860DTXCID402943005,6-Epoxy-6-methyl-2-heptanoneSCHEMBL5071795LPUBILBYSYGSER-UHFFFAOYSA-NAKOS0159056354-(3,3-Dimethyl-2-oxiranyl)-2-butanone4-(3,3-Dimethyl-2-oxiranyl)-2-butanone #4-(3,3-dimethyl-oxiran-2-yl)-butan-2-one
Database identifiers
- CAS
16262-93-4- PubChem CID
- 588302
- DTXSID
DTXSID80343220- Nikkaji
- J27.171C
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 29.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 149
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Compound notes
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