6-Ethoxy-4,4-dimethyl-7-oxabicyclo[4.1.0]heptan-2-one
Basic information
- CAS
128445-77-2- Standard SMILES
CCOC12CC(C)(C)CC(=O)C1O2- InChIKey
OJBWQEUIJIWVHK-UHFFFAOYSA-N- Molecular formula
- C10H16O3
- Average molar mass
- 184.23 g/mol
- Monoisotopic mass
- 184.10994437
Names & identifiers
- Preferred name
- 6-Ethoxy-4,4-dimethyl-7-oxabicyclo[4.1.0]heptan-2-one
- IUPAC
- 6-ethoxy-4,4-dimethyl-7-oxabicyclo[4.1.0]heptan-2-one
Names & synonyms
128445-77-26-Ethoxy-4,4-dimethyl-7-oxabicyclo[4.1.0]heptan-2-oneDTXSID10563530
Database identifiers
- CAS
128445-77-2- PubChem CID
- 14744249
- DTXSID
DTXSID10563530
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 247
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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