1,1-Diethoxybutan-2-one
Basic information
- CAS
20082-91-1- Standard SMILES
CCOC(OCC)C(=O)CC- InChIKey
PSCPNUUGSYNSEH-UHFFFAOYSA-N- Molecular formula
- C8H16O3
- Average molar mass
- 160.21 g/mol
- Monoisotopic mass
- 160.10994437
Names & identifiers
- Preferred name
- 1,1-Diethoxybutan-2-one
- IUPAC
- 1,1-diethoxybutan-2-one
Names & synonyms
1,1-diethoxybutan-2-one6136-92-1EINECS 243-507-4SCHEMBL178955DTXSID40864946AKOS018048070
Database identifiers
- CAS
20082-91-1- PubChem CID
- 88362
- DTXSID
DTXSID40864946- Nikkaji
- J1.812.953A
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 106
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Related reactions
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Compound notes
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