5-Methyl-3-methylidene-5-phenyloxolan-2-one
Basic information
- CAS
29043-98-9- Standard SMILES
C=C1CC(C)(c2ccccc2)OC1=O- InChIKey
JHUHFCGGZYVSLQ-UHFFFAOYSA-N- Molecular formula
- C12H12O2
- Average molar mass
- 188.22 g/mol
- Monoisotopic mass
- 188.08372962
Names & identifiers
- Preferred name
- 5-Methyl-3-methylidene-5-phenyloxolan-2-one
- IUPAC
- 5-methyl-3-methylidene-5-phenyloxolan-2-one
Names & synonyms
5-Methyl-3-methylidene-5-phenyloxolan-2-one29043-98-9CHEMBL8005Oxolan-2-one, 5-methyl-3-methylidene-5-phenyl-SCHEMBL18623659DTXSID60951640
Database identifiers
- CAS
29043-98-9- PubChem CID
- 185672
- DTXSID
DTXSID60951640- ChEMBL
CHEMBL8005- Nikkaji
- J566.376H
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 263
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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