Basic information
- CAS
52535-36-1- Standard SMILES
Cc1ccc(C#CC2(O)CCCCC2)cn1- InChIKey
IELAPYICSDDDGY-UHFFFAOYSA-N- Molecular formula
- C14H17NO
- Average molar mass
- 215.29 g/mol
- Monoisotopic mass
- 215.13101417
Names & identifiers
- Preferred name
- Cyclohexanol, 1-((6-methyl-3-pyridyl)ethynyl)-
- IUPAC
- 1-[2-(6-methyl-3-pyridinyl)ethynyl]cyclohexan-1-ol
- English name
- 1-[(6-Methyl-3-pyridyl)ethynyl]cyclohexanol
- Molecular formula
- C14H17NO
- Molecular weight
- 215.29
Names & synonyms
52535-36-1BRN 1531915Cyclohexanol, 1-((6-methyl-3-pyridyl)ethynyl)-1-((6-Methyl-3-pyridyl)ethynyl)cyclohexanol5-21-03-00422 (Beilstein Handbook Reference)RefChem:335431DTXSID70966967DB-3011871-[(6-Methyl-3-pyridyl)ethynyl ]cyclohexanol1-[(6-Methylpyridin-3-yl)ethynyl]cyclohexan-1-ol1-[(6-Methyl-3-pyridyl)ethynyl]cyclohexanolCyclohexanol, 1-[(6-methyl-3-pyridinyl)ethynyl]- (9CI)
Database identifiers
- CAS
52535-36-1- PubChem CID
- 3040596
- DTXSID
DTXSID70966967- Nikkaji
- J77.832J
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 292
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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