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1-Propene, Tetramer
CAS: 6842-15-5 | C3H6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6842-15-5
Molecular Formula:
C3H6
Molecular Weight:
42.080999999999996 g/mol
Names and Synonyms:
1-Propene, Tetramer
Common Name
Light Tetramer
Synonym
Propylene tetramer
Synonym
Tetrapropylene
Synonym
Propene, tetramer
Synonym
1-Propene, tetramer
Synonym
Identifiers:
SMILES:
C=CC
InChI:
InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3
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 | 42.08 g/mol | Legacy Database |
| density | 0.77 g/cm³ | Legacy Database |
| cas-boiling-point | 190-210 °C None | Legacy Database |
| cas-canonical-smile | C=CC None | Legacy Database |
| cas-density | 0.7678 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=QQONPFPTGQHPMA-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 1-Propene, tetramer None | Legacy Database |
| LogP | 1.1923 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 42.080999999999996 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 42.046950192 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 3 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 | 15.871000000000002 | RDKit |