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Molecule
2-Cyclohexen-1-Ol
CAS: 822-67-3 · C6H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 822-67-3
- Molecular Formula
- C6H10O
- Molecular Mass
- 98.14 g/mol
Identifiers
CAS Registry Number
822-67-3
SMILES
OC1C=CCCC1
InChI Key
PQANGXXSEABURG-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2
Names and Synonyms
- 2-Cyclohexen-1-Ol Synonym
- 2-Cyclohexen-1-ol Synonym
- Cyclohexen-3-ol Synonym
- 2-Cyclohexenol Synonym
- 3-Hydroxycyclohexene Synonym
- 1-Cyclohexen-3-ol Synonym
- 1-Hydroxy-2-cyclohexene Synonym
- (±)-2-Cyclohexen-1-ol Synonym
- 3-Hydroxy-1-cyclohexene Synonym
- NSC 64656 Synonym
- 2-Cyclohexenyl alcohol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 98.14 g/mol | CAS Common Chemistry |
| 98.14500000000001 g/mol | RDKit | |
| 98.145 g/mol | RDKit | |
| Density | 1.00 g/cm³ | CAS Common Chemistry |
| 1.00 g/cm3 @ 28 °C | CAS Common Chemistry | |
| Boiling Point | 164 °C | CAS Common Chemistry |
| Canonical SMILES | OC1C=CCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=PQANGXXSEABURG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 107-108 °C | CAS Common Chemistry |
| Name | 2-Cyclohexen-1-ol | CAS Common Chemistry |
| Heavy Atom Count | 7 | 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 | 1.0874 | RDKit |
| Molar Refractivity | 28.997799999999987 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 98.07316494 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 98.14 g/mol; density = 1.000 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H10O.
