Cyclododecanol, 1-(3-hydroxy-3-methyl-1-butynyl)-
Basic information
- CAS
141797-43-5- Standard SMILES
CC(C)(O)C#CC1(O)CCCCCCCCCCC1- InChIKey
NYBRBVNFZJFIDN-UHFFFAOYSA-N- Molecular formula
- C17H30O2
- Average molar mass
- 266.4 g/mol
- Monoisotopic mass
- 266.2245802
Names & identifiers
- Preferred name
- Cyclododecanol, 1-(3-hydroxy-3-methyl-1-butynyl)-
- IUPAC
- 1-(3-hydroxy-3-methylbut-1-ynyl)cyclododecan-1-ol
Names & synonyms
141797-43-5Cyclododecanol, 1-(3-hydroxy-3-methyl-1-butynyl)-DTXSID10387935RefChem:335008DTXCID603389571-(3-hydroxy-3-methylbut-1-ynyl)cyclododecan-1-ol1-(3-HYDROXY-3-METHYLBUT-1-YN-1-YL)CYCLODODECAN-1-OLMFCD03764927AKOS0017485331-(3-hydroxy-3-methyl-1-butyn-1-yl)cyclododecanol1-(3-Hydroxy-3-methylbut-1-yn-1-yl)cyclododecanol
Database identifiers
- CAS
141797-43-5- PubChem CID
- 2945488
- DTXSID
DTXSID10387935- Nikkaji
- J440.750D
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 307
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Compound notes
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