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Decene
CAS: 872-05-9 | C10H20
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
872-05-9
Molecular Formula:
C10H20
Molecular Weight:
140.27 g/mol
Names and Synonyms:
Decene
Linealene 10
NSC 62122
Neodene 10
Dialen 10
Gulftene 10
1-n-Decene
α-Decene
n-1-Decene
1-Decene
Identifiers:
SMILES:
C=CCCCCCCCC
InChI:
InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 140.27 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 140.15650064 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 7 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 3.9230000000000027 | RDKit |
| molecular_mass | 140.27 g/mol | Legacy Database |
| density | 0.74 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Decene None | Legacy Database |
| cas-boiling-point | 170.56 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | C=CCCCCCCCC None | Legacy Database |
| cas-density | 0.7408 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=AFFLGGQVNFXPEV-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -66.3 °C None | Legacy Database |
| cas-name | 1-Decene None | Legacy Database |
| wikipedia-name | Decene None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 48.190000000000026 | RDKit |
