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Molecule
(±)-2-Dodecanol
CAS: 10203-28-8 · C12H26O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 10203-28-8
- Molecular Formula
- C12H26O
- Molecular Mass
- 186.34 g/mol
Identifiers
CAS Registry Number
10203-28-8
SMILES
CCCCCCCCCCC(C)O
InChI Key
XSWSEQPWKOWORN-UHFFFAOYSA-N
InChI
InChI=1S/C12H26O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12-13H,3-11H2,1-2H3
Names and Synonyms
- (±)-2-Dodecanol Common Name
- 2-Dodecanol Synonym
- (RS)-2-Dodecanol Synonym
- (±)-2-Dodecanol Synonym
- NSC 86142 Synonym
- 2-Lauryl alcohol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 186.34 g/mol | CAS Common Chemistry |
| 186.339 g/mol | RDKit | |
| Boiling Point | 252 °C | CAS Common Chemistry |
| Canonical SMILES | OC(C)CCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C12H26O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12-13H,3-11H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XSWSEQPWKOWORN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 19 °C | CAS Common Chemistry |
| Name | (±)-2-Dodecanol | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 3.8980000000000037 | RDKit |
| 3.898 | RDKit | |
| Molar Refractivity | 58.90780000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 186.198365452 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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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MW = 186.34 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H26O.
