1-(3-Ethyloxiran-2-yl)ethan-1-one
Basic information
- CAS
17257-81-7- Standard SMILES
CCC1OC1C(C)=O- InChIKey
MXXCXQDATRPYND-UHFFFAOYSA-N- Molecular formula
- C6H10O2
- Average molar mass
- 114.14 g/mol
- Monoisotopic mass
- 114.06807956
Names & identifiers
- Preferred name
- 1-(3-Ethyloxiran-2-yl)ethan-1-one
- IUPAC
- 1-(3-ethyloxiran-2-yl)ethanone
- English name
- 3,4-Epoxy-2-hexanone
- Molecular formula
- C6H10O2
- Molecular weight
- 114.14
Names & synonyms
17257-81-71-(3-Ethyloxiran-2-yl)ethan-1-oneDTXSID20864762RefChem:1054168DTXCID908132423,4-EPOXY-2-HEXANONE1-(3-ethyloxiran-2-yl)ethanone2-Hexanone, 3,4-epoxy-Ethanone, 1-(3-ethyloxiranyl)-SCHEMBL11880804MXXCXQDATRPYND-UHFFFAOYSA-N1-(3-Ethyl-2-oxiranyl)ethanone #
Show more names
Ethanone, 1-(3-ethyl-2-oxiranyl)-
NS00123632
Database identifiers
- CAS
17257-81-7- PubChem CID
- 28430
- DTXSID
DTXSID20864762- Nikkaji
- J100.986I
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 29.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 109
Physicochemical properties
- Boiling point
- 60 · 60-61 °C(Press: 14 Torr)
- Density
- 0.9723 g/cm3 · 0.9723 g/cm3
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Related reactions
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Compound notes
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