3-Acetyl-5-propyldihydrofuran-2(3h)-one
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Basic information
- CAS
40010-98-8- Standard SMILES
CCCC1CC(C(C)=O)C(=O)O1- InChIKey
BKSYCKMLQCVWOX-UHFFFAOYSA-N- Molecular formula
- C9H14O3
- Average molar mass
- 170.21 g/mol
- Monoisotopic mass
- 170.0942943
Names & identifiers
- Preferred name
- 3-Acetyl-5-propyldihydrofuran-2(3h)-one
- IUPAC
- 3-acetyl-5-propyloxolan-2-one
- English name
- 3-acetyl-5-propyl-oxolan-2-one
- Molecular formula
- C9H14O3
- Molecular weight
- 170.21
Names & synonyms
3-acetyl-5-propyldihydrofuran-2(3h)-one40010-98-83-acetyl-5-propyloxolan-2-oneNSC46348SCHEMBL9331044DTXSID30286532BKSYCKMLQCVWOX-UHFFFAOYSA-NNSC-463483-Acetyl-5-Propyldihydro-2(3H)-Furanone3-acetyl-5-propyl-dihydro-2 (3H)-furanone3-acetyl-5-propyl-oxolan-2-one2(3H)-Furanone, 3-acetyldihydro-5-propyl-
Database identifiers
- CAS
40010-98-8- PubChem CID
- 240256
- DTXSID
DTXSID30286532
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Boiling point
- 306.3 · 306.3±35.0 °C(Predicted)
- Density
- 1.053 · 1.053±0.06 g/cm3(Predicted)
- pka
- 12.04 · 12.04±0.40(Predicted)
Related reactions
2 records
Compound notes
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