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Molecule
Cyclohexene
CAS: 110-83-8 · C6H10
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 110-83-8
- Molecular Formula
- C6H10
- Molecular Mass
- 82.15 g/mol
Identifiers
CAS Registry Number
110-83-8
SMILES
C1=CCCCC1
InChI Key
HGCIXCUEYOPUTN-UHFFFAOYSA-N
InChI
InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2
Names and Synonyms
- Cyclohexene Synonym
- Cyclohexene Synonym
- Benzene, tetrahydro- Synonym
- Benzene tetrahydride Synonym
- Tetrahydrobenzene Synonym
- 1,2,3,4-Tetrahydrobenzene Synonym
- Cyclohex-1-ene Synonym
- NSC 24835 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 82.15 g/mol | CAS Common Chemistry |
| 82.146 g/mol | RDKit | |
| Density | 0.81 g/cm³ | CAS Common Chemistry |
| 0.8098 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cyclohexene | CAS Common Chemistry |
| Canonical SMILES | C1=CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=HGCIXCUEYOPUTN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -103.5 °C | CAS Common Chemistry |
| Name | Cyclohexene | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.1166 | RDKit |
| 1.98 | chempirical lib | |
| Molar Refractivity | 27.607999999999986 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 82.07825032 g/mol | RDKit |
| Boiling Point | 83 °C @ 760 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 = 82.15 g/mol; density = 0.810 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H10.
