1-(2-Methoxy-1-methylcyclohexa-2,5-dien-1-yl)ethan-1-one
Basic information
- CAS
41477-79-6- Standard SMILES
COC1=CCC=CC1(C)C(C)=O- InChIKey
HOANENBTQIYYIH-UHFFFAOYSA-N- Molecular formula
- C10H14O2
- Average molar mass
- 166.22 g/mol
- Monoisotopic mass
- 166.09937969
Names & identifiers
- Preferred name
- 1-(2-Methoxy-1-methylcyclohexa-2,5-dien-1-yl)ethan-1-one
- IUPAC
- 1-(2-methoxy-1-methylcyclohexa-2,5-dien-1-yl)ethanone
Names & synonyms
41477-79-6DTXSID005000901-(2-Methoxy-1-methylcyclohexa-2,5-dien-1-yl)ethan-1-one
Database identifiers
- CAS
41477-79-6- PubChem CID
- 12487562
- DTXSID
DTXSID00500090
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 251
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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