1-(2-Bromoethynyl)cyclohexanol
Basic information
- CAS
13957-27-2- Standard SMILES
OC1(C#CBr)CCCCC1- InChIKey
SNMGSXAAVQCPGL-UHFFFAOYSA-N- Molecular formula
- C8H11BrO
- Average molar mass
- 203.08 g/mol
- Monoisotopic mass
- 201.99933
Names & identifiers
- Preferred name
- 1-(2-Bromoethynyl)cyclohexanol
- IUPAC
- 1-(2-bromoethynyl)cyclohexan-1-ol
- English name
- 1-(bromoethynyl)cyclohexanol
- Molecular formula
- C8H11BrO
- Molecular weight
- 203.08
Names & synonyms
Sedenol13957-27-21-(2-Bromoethynyl)cyclohexanolDTXSID60161106RefChem:1053915DTXCID00835971-(Bromoethynyl)cyclohexan-1-ol1-(2-bromoethynyl)cyclohexan-1-ol1-(bromoethynyl)cyclohexanolCyclohexanol, 1-(bromoethynyl)-1-(2-Bromoethynyl)cyclohexanole1-Bromoethynylcyclohexanol
Show more names
BRN 15246451-Bromoaethinyl-cyclohexanol-(1) [German]1-Bromoaethinyl-cyclohexanol-(1)Cyclohexanol, 1-(2-bromoethynyl)-4-06-00-00352 (Beilstein Handbook Reference)SCHEMBL31261818SNMGSXAAVQCPGL-UHFFFAOYSA-MFCD01175816
Database identifiers
- CAS
13957-27-2- PubChem CID
- 203124
- DTXSID
DTXSID60161106- Nikkaji
- J55.434K
Properties
Computed structural properties
- XLogP
- 2.3
- 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
- 168
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
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Compound notes
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