Basic information
- CAS
506437-75-8- Standard SMILES
C#C[C@]1(O)CCC[C@@H](C)C1- InChIKey
YXHKSLYHWCBOIN-BDAKNGLRSA-N- Molecular formula
- C9H14O
- Average molar mass
- 138.21 g/mol
Names & identifiers
- Preferred name
- trans-(1S,3R)-1-ethynyl-3-methylcyclohexan-1-ol
- IUPAC
- trans-(1S,3R)-1-ethynyl-3-methylcyclohexan-1-ol
- English name
- Cyclohexanol, 1-ethynyl-3-methyl-, (1S,3R)- (9CI)
- Molecular formula
- C9H14O
- Molecular weight
- 138.21
Names & synonyms
506437-75-8SCHEMBL928919Cyclohexanol, 1-ethynyl-3-methyl-, (1S,3R)-Cyclohexanol, 1-ethynyl-3-methyl-, (1S,3R)- (9CI)
Database identifiers
- CAS
506437-75-8
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 165
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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