(3-Methyl-2-oxooxolan-3-yl)methyl acetate
Basic information
- CAS
117471-39-3- Standard SMILES
CC(=O)OCC1(C)CCOC1=O- InChIKey
MWCALVUVURMIMX-UHFFFAOYSA-N- Molecular formula
- C8H12O4
- Average molar mass
- 172.18 g/mol
- Monoisotopic mass
- 172.07355886
Names & identifiers
- Preferred name
- (3-Methyl-2-oxooxolan-3-yl)methyl acetate
- IUPAC
- (3-methyl-2-oxooxolan-3-yl)methyl acetate
Names & synonyms
DTXSID901219431(3-Methyl-2-oxooxolan-3-yl)methyl acetate3-[(Acetyloxy)methyl]dihydro-3-methyl-2(3H)-furanone117471-39-3
Database identifiers
- CAS
117471-39-3- PubChem CID
- 85570264
- DTXSID
DTXSID901219431
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 211
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Compound notes
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