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Cis-2-Butene
CAS: 590-18-1 | C4H8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
590-18-1
Molecular Formula:
C4H8
Molecular Weight:
56.108000000000004 g/mol
Names and Synonyms:
Cis-2-Butene
Synonym
2-Butene, (2Z)-
Synonym
2-Butene, (Z)-
Synonym
(2Z)-2-Butene
Synonym
cis-2-Butylene
Synonym
cis-1,2-Dimethylethylene
Synonym
cis-2-Butene
Synonym
(Z)-2-Butene
Synonym
β-cis-Butylene
Synonym
cis-Butene
Synonym
Z-Butene
Synonym
Identifiers:
SMILES:
C/C=CC
InChI:
InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 56.11 g/mol | Legacy Database |
| density | 0.62 g/cm³ | Legacy Database |
| cas-boiling-point | 3.7 °C None | Legacy Database |
| cas-canonical-smile | C(=CC)C None | Legacy Database |
| cas-density | 0.616 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3- None | Legacy Database |
| cas-inchi-key | InChIKey=IAQRGUVFOMOMEM-ARJAWSKDSA-N None | Legacy Database |
| cas-melting-point | -138.9 °C None | Legacy Database |
| cas-name | cis-2-Butene None | Legacy Database |
| LogP | 1.5824 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 56.108000000000004 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 56.062600255999996 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 20.487999999999996 | RDKit |