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Molecule
Lithium Dodecyl Sulfate
CAS: 2044-56-6 · C12H26LiO4S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2044-56-6
- Molecular Formula
- C12H26LiO4S
- Molecular Mass
- 273.34 g/mol
Identifiers
CAS Registry Number
2044-56-6
SMILES
CCCCCCCCCCCCOS(=O)(=O)O.[Li]
InChI Key
GQHVYRGZGHNLKO-UHFFFAOYSA-N
InChI
InChI=1S/C12H26O4S.Li/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);
Names and Synonyms
- Lithium Dodecyl Sulfate Synonym
- Sulfuric acid, monododecyl ester, lithium salt (1:1) Synonym
- Sulfuric acid, monododecyl ester, lithium salt Synonym
- Dodecyl lithium sulfate Synonym
- Lithium dodecyl sulfate Synonym
- Lithium lauryl sulfate Synonym
- Sinnopon LL 30 Synonym
- Cycloryl LA Synonym
- LL 30 Synonym
- Sipon LL 30 Synonym
- Li dodecyl sulfate Synonym
- Taipol NLL 27 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 273.34 g/mol | CAS Common Chemistry |
| 273.34399999999994 g/mol | RDKit | |
| 273.344 g/mol | RDKit | |
| 274.345 g/mol | chempirical lib | |
| Canonical SMILES | [Li].O=S(=O)(O)OCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C12H26O4S.Li/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15); | CAS Common Chemistry |
| InChI Key | InChIKey=GQHVYRGZGHNLKO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Lithium dodecyl sulfate | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 63.60000000000001 Ų | RDKit |
| 63.6 Ų | RDKit | |
| LogP | 3.345900000000001 | RDKit |
| 3.3459 | RDKit | |
| Molar Refractivity | 75.09860000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 273.171184862 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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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 = 273.34 g/mol. Edit any field — others recompute live.
