2-sec-Butylcyclohexanol
Basic information
- CAS
4632-01-3- Standard SMILES
CCC(C)C1CCCCC1O- InChIKey
HSTMKGFYRGMMOF-UHFFFAOYSA-N- Molecular formula
- C10H20O
- Average molar mass
- 156.26 g/mol
- Monoisotopic mass
- 156.15141526
Names & identifiers
- Preferred name
- 2-sec-Butylcyclohexanol
- IUPAC
- 2-butan-2-ylcyclohexan-1-ol
- English name
- 2-sec-Butyl-cyclohexanol
- Molecular formula
- C10H20O
- Molecular weight
- 156.27
Names & synonyms
2-sec-Butylcyclohexanol4632-01-3Cyclohexanol, 2-(1-methylpropyl)-2-sec-Butylcyclohexan-1-olAI3-18888RefChem:1064813225-054-42-(BUTAN-2-YL)CYCLOHEXAN-1-OLCyclohexanol, 2-sec-butyl-NSC-43952-(1-Methylpropyl)cyclohexanol2-SEC-BUTYL-CYCLOHEXANOL
Show more names
NSC4395ECZ3JNG9WJSCHEMBL4840529DTXSID50963550NSC 4395EINECS 225-054-4AKOS0179772402-(SEC-BUTYL)CYCLOHEXAN-1-OL
Database identifiers
- CAS
4632-01-3- PubChem CID
- 94828
- DTXSID
DTXSID50963550- UNII
- ECZ3JNG9WJ
- EC Number
- 225-054-4
- Nikkaji
- J47.450I
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 111
Physicochemical properties
- Boiling point
- 219 · 219.0±8.0 °C(Predicted)
- Density
- 0.908 · 0.908±0.06 g/cm3(Predicted)
- pka
- 15.33 · 15.33±0.40(Predicted)
- FDA UNII
- 3 JNG9WJ · ECZ3JNG9WJ
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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