Basic information
- CAS
17429-03-7- Standard SMILES
COC1CC(C)C(=O)C(C)(C)C1- InChIKey
SOQAOURJBPECRP-UHFFFAOYSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Names & identifiers
- Preferred name
- 4-Methoxy-2,2,6-trimethylcyclohexanone
- IUPAC
- 4-methoxy-2,2,6-trimethylcyclohexan-1-one
- English name
- 4-Methoxy-2,2,6-trimethylcyclohexanone
- Molecular formula
- C10H18O2
- Molecular weight
- 0
Names & synonyms
4-Methoxy-2,2,6-trimethylcyclohexanone17429-03-7DTXSID60339949RefChem:293748DTXCID802910304-methoxy-2,2,6-trimethylcyclohexan-1-oneCyclohexanone, 4-methoxy-2,2,6-trimethyl-SOQAOURJBPECRP-UHFFFAOYSA-N4-Methoxy-2,2,6-trimethylcyclohexanone #4-Methoxy-2,2,6-trimethyl-cyclohexanon
Database identifiers
- CAS
17429-03-7- PubChem CID
- 560260
- DTXSID
DTXSID60339949- Nikkaji
- J102.315B
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 184
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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