Basic information
- CAS
133868-23-2- Standard SMILES
CO[C@@H](C)[C@H]1CC[C@H]1C=O- InChIKey
FARFLXLPBGCLSE-BIIVOSGPSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Names & identifiers
- Preferred name
- CID 14909285
- IUPAC
- trans-(1R,2S)-2-[(1S)-1-methoxyethyl]cyclobutane-1-carbaldehyde
- English name
- Cyclobutanecarboxaldehyde, 2-(1-methoxyethyl)-, [1alpha,2alpha(S*)]- (9CI)
- Molecular formula
- C8H14O2
- Molecular weight
- 142.2
Names & synonyms
Cyclobutanecarboxaldehyde, 2-[(1R)-1-methoxyethyl]-, (1S,2R)-rel-Cyclobutanecarboxaldehyde, 2-(1-methoxyethyl)-, [1alpha,2alpha(S*)]- (9CI)
Database identifiers
- CAS
133868-23-2- PubChem CID
- 14909285
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 122
Physicochemical properties
- Boiling point
- 179.517 · 179.517±13.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.045 · 1.045±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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