Basic information
- CAS
31339-79-4- Standard SMILES
C#CCOCC1CC(Cc2ccccc2)(C(C)=O)C(=O)O1- InChIKey
BYAOJGZDQOCPNK-UHFFFAOYSA-N- Molecular formula
- C17H18O4
- Average molar mass
- 286.32 g/mol
- Monoisotopic mass
- 286.12050905
Names & identifiers
- Preferred name
- 2(3H)-Furanone, dihydro-3-acetyl-3-benzyl-5-(2-propynyloxymethyl)-
- IUPAC
- 3-acetyl-3-benzyl-5-(prop-2-ynoxymethyl)oxolan-2-one
- English name
- 3-Acetyl-3-benzyl-4,5-dihydro-5-(2-propynyloxymethyl)-2(3H)-furanone
- Molecular formula
- C17H18O4
- Molecular weight
- 286.32
Names & synonyms
31339-79-42(3H)-FURANONE, DIHYDRO-3-ACETYL-3-BENZYL-5-(2-PROPYNYLOXYMETHYL)-RefChem:1058739gamma-Butyrolactone, 2-acetyl-2-benzyl-4-propargyloxymethyl-Propargyloxymethyl-4 acetyl-2 benzyl-2 gamma-butyrolactone3-acetyl-3-benzyl-5-(prop-2-ynoxymethyl)oxolan-2-oneDTXSID7013842503-Acetyl-3-benzyl-4,5-dihydro-5-(2-propynyloxymethyl)-2(3H)-furanoneDB-3150643-Acetyl -3-benzyl -4,5-dihydro-5-(2-propynyloxymethyl )-2(3h)-furanone2(3H)-Furanone, 3-acetyl-3-benzyldihydro-5-[(2-propynyloxy)methyl]- (8CI)
Database identifiers
- CAS
31339-79-4- PubChem CID
- 35773
- DTXSID
DTXSID701384250- Nikkaji
- J75.485D
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 441
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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