3-Propyloxan-2-one
Basic information
- CAS
22791-77-1- Standard SMILES
CCCC1CCCOC1=O- InChIKey
LANLMKRVDNOZFB-UHFFFAOYSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Overview
Xi-Tetrahydro-3-propyl-2H-pyran-2-one is a delta-lactone.
Names & identifiers
- Preferred name
- 3-Propyloxan-2-one
- IUPAC
- 3-propyloxan-2-one
- English name
- tetrahydro-3-propyl-2H-pyran-2-one
- Molecular formula
- C8H14O2
- Molecular weight
- 142.19556
Names & synonyms
3-propyloxan-2-one3-propyltetrahydro-2h-pyran-2-one22791-77-1Tetrahydro-3-propyl-2H-pyran-2-onexi-Tetrahydro-3-propyl-2H-pyran-2-oneEINECS 245-223-6propyl-5-pentanolideSCHEMBL577073SCHEMBL7737985DTXSID70945474CHEBI:180296LANLMKRVDNOZFB-UHFFFAOYSA-N
Show more names
2H-Pyran-2-one,tetrahydro-3-propyl-
AKOS006276603NS00053382
Database identifiers
- CAS
22791-77-1- PubChem CID
- 90840
- DTXSID
DTXSID70945474- ChEBI
CHEBI:180296- EC Number
- 245-223-6
- Nikkaji
- J286.309J
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 120
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Additional notes
DefinitionChEBI: Xi-Tetrahydro-3-propyl-2H-pyran-2-one is a delta-lactone.
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Related reactions
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Compound notes
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