Basic information
- CAS
217969-28-3- Standard SMILES
CCO[C@H]1C[C@@H](C(C)C)CO1- InChIKey
FTFPXJQBTKMMTA-RKDXNWHRSA-N- Molecular formula
- C9H18O2
- Average molar mass
- 158.24 g/mol
- Monoisotopic mass
- 158.13067981
Names & identifiers
- Preferred name
- (2R,4S)-2-ethoxy-4-propan-2-yloxolane
- IUPAC
- (2R,4S)-2-ethoxy-4-propan-2-yloxolane
- English name
- Furan, 2-ethoxytetrahydro-4-(1-methylethyl)-, (2R,4S)-rel- (9CI)
- Molecular formula
- C9H18O2
- Molecular weight
- 158.24
Names & synonyms
Furan, 2-ethoxytetrahydro-4-(1-methylethyl)-, (2R,4S)-rel-Furan, 2-ethoxytetrahydro-4-(1-methylethyl)-, (2R,4S)-rel- (9CI)
Database identifiers
- CAS
217969-28-3- PubChem CID
- 15416036
- Nikkaji
- J1.005.613F
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 112
Physicochemical properties
- Boiling point
- 189.6 · 189.6±8.0 °C(Predicted)
- Density
- 0.91 · 0.91±0.1 g/cm3(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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