5-[(Benzyloxy)methyl]-5-methyloxolan-2-one
Basic information
- CAS
92527-67-8- Standard SMILES
CC1(COCc2ccccc2)CCC(=O)O1- InChIKey
GTAMIGBAPNHMHJ-UHFFFAOYSA-N- Molecular formula
- C13H16O3
- Average molar mass
- 220.26 g/mol
- Monoisotopic mass
- 220.10994437
Names & identifiers
- Preferred name
- 5-[(Benzyloxy)methyl]-5-methyloxolan-2-one
- IUPAC
- 5-methyl-5-(phenylmethoxymethyl)oxolan-2-one
Names & synonyms
92527-67-85-[(Benzyloxy)methyl]-5-methyloxolan-2-oneDTXSID80537763EN300-1296827
Database identifiers
- CAS
92527-67-8- PubChem CID
- 13347367
- DTXSID
DTXSID80537763
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 246
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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