1-Cyclohexyl-3-ethoxy-2-butanone
Basic information
- CAS
74897-69-1- Standard SMILES
CCOC(C)C(=O)CC1CCCCC1- InChIKey
OSUQBOYBODOLJQ-UHFFFAOYSA-N- Molecular formula
- C12H22O2
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 198.16197994
Names & identifiers
- Preferred name
- 1-Cyclohexyl-3-ethoxy-2-butanone
- IUPAC
- 1-cyclohexyl-3-ethoxybutan-2-one
- English name
- 1-Cyclohexyl-3-ethoxy-2-butanone
- Molecular formula
- C12H22O2
- Molecular weight
- 198.3
Names & synonyms
1-Cyclohexyl-3-ethoxy-2-butanone74897-69-1DTXSID70338943RefChem:229735DTXCID002900251-cyclohexyl-3-ethoxybutan-2-oneOSUQBOYBODOLJQ-UHFFFAOYSA-N1-Cyclohexyl-3-ethoxy-butan-2-one1-Cyclohexyl-3-ethoxy-2-butanone #2-Butanone, 1-cyclohexyl-3-ethoxy-
Database identifiers
- CAS
74897-69-1- PubChem CID
- 552107
- DTXSID
DTXSID70338943
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 171
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Compound notes
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