Basic information
- CAS
121725-92-6- Standard SMILES
CC(C)[C@@H]1OC(=O)[C@H](C)[C@H]1C- InChIKey
PCMFQYDBDBUOKY-PRJMDXOYSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Names & identifiers
- Preferred name
- (3R,4R,5S)-3,4-Dimethyl-5-propan-2-yloxolan-2-one
- IUPAC
- (3R,4R,5S)-3,4-dimethyl-5-propan-2-yloxolan-2-one
- English name
- 2(3H)-Furanone,dihydro-3,4-dimethyl-5-(1-methylethyl)-,(3alpha,4bta,5alpha)-(9CI)
- Molecular formula
- C9H16O2
- Molecular weight
- 156.22214
Names & synonyms
(3R,4R,5S)-3,4-Dimethyl-5-propan-2-yloxolan-2-one121725-92-62(3H)-Furanone,dihydro-3,4-dimethyl-5-(1-methylethyl)-,(3alpha,4bta,5alpha)-(9CI)
Database identifiers
- CAS
121725-92-6- PubChem CID
- 14295481
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 163
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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