Basic information
- CAS
40784-18-7- Standard SMILES
CC(C)N1OCCC1=O- InChIKey
OODXRKGBMISMPF-UHFFFAOYSA-N- Molecular formula
- C6H11NO2
- Average molar mass
- 129.16 g/mol
- Monoisotopic mass
- 129.07897859
Names & identifiers
- Preferred name
- 3-Isoxazolidinone, 2-isopropyl-
- IUPAC
- 2-propan-2-yl-1,2-oxazolidin-3-one
Names & synonyms
3-ISOXAZOLIDINONE, 2-ISOPROPYL-BRN 06366272-Isopropylisoxazolid-3(2H)-one40784-18-7DTXSID50193774RefChem:280286DTXCID901162652-(propan-2-yl)-1,2-oxazolidin-3-oneSCHEMBL1698565
Database identifiers
- CAS
40784-18-7- PubChem CID
- 38677
- DTXSID
DTXSID50193774- Nikkaji
- J96.747E
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 122
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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