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6-Chloro-1-Hexene
CAS: 928-89-2 | C6H11Cl
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
928-89-2
Molecular Formula:
C6H11Cl
Molecular Mass:
118.61 g/mol
Names and Synonyms:
6-Chloro-1-Hexene
1-Hexene, 6-chloro-
6-Chloro-1-hexene
5-Hexen-1-yl chloride
5-Hexenyl chloride
1-Chlorohex-5-ene
Identifiers:
SMILES:
C=CCCCCCl
InChI:
InChI=1S/C6H11Cl/c1-2-3-4-5-6-7/h2H,1,3-6H2
Key Properties
Boiling Point
128-130 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 118.61 g/mol | CAS Common Chemistry |
| 118.607 g/mol | RDKit | |
| 118.05492803199999 g/mol | RDKit | |
| Boiling Point | 128-130 °C | CAS Common Chemistry |
| Canonical SMILES | ClCCCCC=C | CAS Common Chemistry |
| InChI | InChI=1S/C6H11Cl/c1-2-3-4-5-6-7/h2H,1,3-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=BLMIXWDJHNJWDT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 6-Chloro-1-hexene | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.581500000000001 | RDKit |
| Molar Refractivity | 34.767999999999994 | RDKit |
