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Molecule
2-Chlorocyclohexanol
CAS: 1561-86-0 · C6H11ClO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1561-86-0
- Molecular Formula
- C6H11ClO
- Molecular Mass
- 134.61 g/mol
Identifiers
CAS Registry Number
1561-86-0
SMILES
OC1CCCCC1Cl
InChI Key
NYEWDMNOXFGGDX-UHFFFAOYSA-N
InChI
InChI=1S/C6H11ClO/c7-5-3-1-2-4-6(5)8/h5-6,8H,1-4H2
Names and Synonyms
- 2-Chlorocyclohexanol Synonym
- Cyclohexanol, 2-chloro- Synonym
- 2-Chlorocyclohexanol Synonym
- Cyclohexene chlorohydrin Synonym
- 2-Chloro-1-cyclohexanol Synonym
- 1-Chloro-2-cyclohexanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 134.61 g/mol | CAS Common Chemistry |
| 134.606 g/mol | RDKit | |
| 134.603 g/mol | chempirical lib | |
| Density | 1.14 g/cm³ | CAS Common Chemistry |
| 1.142 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Canonical SMILES | ClC1CCCCC1O | CAS Common Chemistry |
| InChI | InChI=1S/C6H11ClO/c7-5-3-1-2-4-6(5)8/h5-6,8H,1-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=NYEWDMNOXFGGDX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 29 °C | CAS Common Chemistry |
| Name | 2-Chlorocyclohexanol | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 1.5287 | RDKit |
| Molar Refractivity | 34.1158 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 134.049842652 g/mol | RDKit |
| Boiling Point | 92 °C @ 10 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 134.61 g/mol; density = 1.140 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H11ClO.
