Basic information
- CAS
100019-33-8- Standard SMILES
CC(C)C1C=CC(=O)O1- InChIKey
LWFKYUIZWLTJCA-UHFFFAOYSA-N- Molecular formula
- C7H10O2
- Average molar mass
- 126.15 g/mol
- Monoisotopic mass
- 126.06807956
Overview
Xi-5-Isopropyl-2(5H)-furanone is a butenolide.
Names & identifiers
- Preferred name
- 2(5H)-Furanone, 5-(1-methylethyl)-
- IUPAC
- 2-propan-2-yl-2H-furan-5-one
Names & synonyms
xi-5-Isopropyl-2(5H)-furanone2(5H)-Furanone, 5-(1-methylethyl)-56767-19-25-(propan-2-yl)-2,5-dihydrofuran-2-one5-Isopropyl-5H-furan-2-oneSCHEMBL11073762-propan-2-yl-2H-uran-5-one5-Isopropyl-2(5H)-furanone #CHEBI:195836LWFKYUIZWLTJCA-UHFFFAOYSA-NDTXSID8013022475-(1-Methylethyl)-2(5H)-furanone
Show more names
5-(Propan-2-yl)furan-2(5H)-one
Database identifiers
- CAS
100019-33-8、56767-19-2- PubChem CID
- 558448
- DTXSID
DTXSID801302247- ChEBI
CHEBI:195836- Nikkaji
- J590.435H
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 147
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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