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Molecule
Dodecyldimethylchlorosilane
CAS: 66604-31-7 · C14H31ClSi
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 66604-31-7
- Molecular Formula
- C14H31ClSi
- Molecular Mass
- 262.94 g/mol
Identifiers
CAS Registry Number
66604-31-7
SMILES
CCCCCCCCCCCC[Si](C)(C)Cl
InChI Key
DLLABNOCKQMTEJ-UHFFFAOYSA-N
InChI
InChI=1S/C14H31ClSi/c1-4-5-6-7-8-9-10-11-12-13-14-16(2,3)15/h4-14H2,1-3H3
Names and Synonyms
- Dodecyldimethylchlorosilane Synonym
- Silane, chlorododecyldimethyl- Synonym
- Chlorododecyldimethylsilane Synonym
- Dimethyl(dodecyl)chlorosilane Synonym
- n-Dodecyldimethylchlorosilane Synonym
- Dodecyldimethylchlorosilane Synonym
- Dimethyl-n-dodecylchlorosilane Synonym
- Chlorodimethyldodecylsilane Synonym
- Dimethyldodecylsilyl chloride Synonym
- Dodecyldimethylsilyl chloride Synonym
- 1-Dodecyldimethylchlorosilane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 262.94 g/mol | CAS Common Chemistry |
| 262.9409999999999 g/mol | RDKit | |
| 262.941 g/mol | RDKit | |
| 262.938 g/mol | chempirical lib | |
| Density | 0.87 g/cm³ | CAS Common Chemistry |
| 0.865 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 291-293 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Si](C)(C)CCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C14H31ClSi/c1-4-5-6-7-8-9-10-11-12-13-14-16(2,3)15/h4-14H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DLLABNOCKQMTEJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Dodecyldimethylchlorosilane | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 6.351200000000007 | RDKit |
| 6.3512 | RDKit | |
| 6.52 | chempirical lib | |
| Molar Refractivity | 79.98600000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 262.188355202 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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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Quick conversion
MW = 262.94 g/mol; density = 0.870 g/mL. Edit any field — others recompute live.
