3-Benzyl-5,5-dimethyloxolan-2-one
Basic information
- CAS
51849-73-1- Standard SMILES
CC1(C)CC(Cc2ccccc2)C(=O)O1- InChIKey
PYHHNUZYJVNRMX-UHFFFAOYSA-N- Molecular formula
- C13H16O2
- Average molar mass
- 204.26 g/mol
- Monoisotopic mass
- 204.11502975
Names & identifiers
- Preferred name
- 3-Benzyl-5,5-dimethyloxolan-2-one
- IUPAC
- 3-benzyl-5,5-dimethyloxolan-2-one
Names & synonyms
3-benzyl-5,5-dimethyloxolan-2-oneDTXSID3030696151849-73-1RefChem:277028DTXCID40258088NSC1847603-Benzyl-5,5-dimethyltetrahydrofuran-2-oneNSC-184760
Database identifiers
- CAS
51849-73-1- PubChem CID
- 302111
- DTXSID
DTXSID30306961- Nikkaji
- J2.242.460B
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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