gamma-Ethyl-gamma-phenyl-butyrolactone
Basic information
- CAS
53380-21-5- Standard SMILES
CCC1(c2ccccc2)CCC(=O)O1- InChIKey
WXXZXKBYBHWQHW-UHFFFAOYSA-N- Molecular formula
- C12H14O2
- Average molar mass
- 190.24 g/mol
- Monoisotopic mass
- 190.09937969
Overview
structure in first source
Names & identifiers
- Preferred name
- gamma-Ethyl-gamma-phenyl-butyrolactone
- IUPAC
- 5-ethyl-5-phenyloxolan-2-one
- English name
- gamma-Ethyl-gamma-phenyl-butyrolactone
- Molecular formula
- C12H14O2
- Molecular weight
- 190.24
Names & synonyms
53380-21-5gamma-Ethyl-gamma-phenyl-butyrolactoneEPBL cpdRefChem:1423005-ethyl-5-phenyloxolan-2-oneEPBLSCHEMBL9182623DTXSID60968031AKOS006295660DB-254883γ-ethyl-γ-phenyl-butyrolactone2(3H)-Furanone, 5-ethyldihydro-5-phenyl-
Database identifiers
- CAS
53380-21-5- PubChem CID
- 189141
- DTXSID
DTXSID60968031- Nikkaji
- J3.279.893D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Boiling point
- 160 °C · 160 °C(Press: 10 Torr)
- Density
- 1.092 g/cm3 · 1.092 g/cm3(Temp: 32 °C)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…