Basic information
- CAS
27850-28-8- Standard SMILES
C#CCOCC1CC(Cc2ccccc2)C(=O)O1- InChIKey
RHWOEAYQQXPUEM-UHFFFAOYSA-N- Molecular formula
- C15H16O3
- Average molar mass
- 244.28 g/mol
- Monoisotopic mass
- 244.10994437
Names & identifiers
- Preferred name
- 2(3H)-Furanone, dihydro-3-benzyl-5-(2-propynyloxymethyl)-
- IUPAC
- 3-benzyl-5-(prop-2-ynoxymethyl)oxolan-2-one
- English name
- 4,5-Dihydro-3-(phenylmethyl)-5-[(2-propynyloxy)methyl]-2(3H)-furanone
- Molecular formula
- C15H16O3
- Molecular weight
- 244.29
Names & synonyms
27850-28-82(3H)-FURANONE, DIHYDRO-3-BENZYL-5-(2-PROPYNYLOXYMETHYL)-RefChem:1058744Dihydro-3-benzyl-5-(2-propynyloxymethyl)-2(3H)-furanoneBRN 1582940Propargyloxymethyl-4 benzyl-2 gamma-butyrolactonegamma-Butyrolactone, 2-benzyl-4-(2-propynyloxymethyl)-DTXSID8013842034,5-Dihydro-3-(phenylmethyl)-5-[(2-propynyloxy)methyl]-2(3H)-furanone2(3H)-Furanone, dihydro-3-(phenylmethyl)-5-[(2-propynyloxy)methyl]- (9CI)
Database identifiers
- CAS
27850-28-8- PubChem CID
- 34044
- DTXSID
DTXSID801384203- Nikkaji
- J49.592A
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 322
Physicochemical properties
- Boiling point
- 418.9 · 418.9±15.0 °C(Predicted)
- Density
- 1.134 · 1.134±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…