Basic information
- CAS
57495-16-6- Standard SMILES
C#C[C@@H]1CCC[C@H](C#C)C1- InChIKey
ZFNYENHXOKGAOJ-AOOOYVTPSA-N- Molecular formula
- C10H12
- Average molar mass
- 132.2 g/mol
Names & identifiers
- Preferred name
- cis-(1S,3R)-1,3-diethynylcyclohexane
- IUPAC
- cis-(1S,3R)-1,3-diethynylcyclohexane
- English name
- Cyclohexane, 1,3-diethynyl-, cis- (9CI)
- Molecular formula
- C10H12
- Molecular weight
- 132.2
Names & synonyms
Cyclohexane, 1,3-diethynyl-, cis- (9CI)
Database identifiers
- CAS
57495-16-6
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Boiling point
- 161.458 · 161.458±20.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.905 · 0.905±0.10 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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