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Molecule
1-Dodecene
CAS: 112-41-4 · C12H24
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 112-41-4
- Molecular Formula
- C12H24
- Molecular Mass
- 168.32 g/mol
Identifiers
CAS Registry Number
112-41-4
SMILES
C=CCCCCCCCCCC
InChI Key
CRSBERNSMYQZNG-UHFFFAOYSA-N
InChI
InChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h3H,1,4-12H2,2H3
Names and Synonyms
- 1-Dodecene Systematic Name
- 1-Dodecene Synonym
- Adacene 12 Synonym
- n-Dodec-1-ene Synonym
- α-Dodecene Synonym
- Dialen 12 Synonym
- Linealene 12 Synonym
- NSC 12016 Synonym
- Neodene C 12 Synonym
- Neodene Shop C12 Synonym
- LAO-C 12 Synonym
- Linealene C 12 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 168.32 g/mol | CAS Common Chemistry |
| 168.32399999999998 g/mol | RDKit | |
| 168.324 g/mol | RDKit | |
| Density | 0.76 g/cm³ | CAS Common Chemistry |
| 0.7584 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1-Dodecene | CAS Common Chemistry |
| Boiling Point | 213.8 °C | CAS Common Chemistry |
| Canonical SMILES | C=CCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h3H,1,4-12H2,2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CRSBERNSMYQZNG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -35.2 °C | CAS Common Chemistry |
| Name | 1-Dodecene | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.703200000000004 | RDKit |
| 4.7032 | RDKit | |
| 4.57 | chempirical lib | |
| Molar Refractivity | 57.42400000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8333 | RDKit |
| 0.83 | chempirical lib | |
| Exact Mass | 168.187800768 g/mol | RDKit |
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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Quick conversion
MW = 168.32 g/mol; density = 0.760 g/mL. Edit any field — others recompute live.
