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Molecule
Hexadecyltrimethoxysilane
CAS: 16415-12-6 · C19H42O3Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 16415-12-6
- Molecular Formula
- C19H42O3Si
- Molecular Mass
- 346.63 g/mol
Identifiers
CAS Registry Number
16415-12-6
SMILES
CCCCCCCCCCCCCCCC[Si](OC)(OC)OC
InChI Key
RSKGMYDENCAJEN-UHFFFAOYSA-N
InChI
InChI=1S/C19H42O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20-2,21-3)22-4/h5-19H2,1-4H3
Names and Synonyms
- Hexadecyltrimethoxysilane Synonym
- Silane, hexadecyltrimethoxy- Synonym
- Hexadecyltrimethoxysilane Synonym
- AY 43-216MC Synonym
- n-Hexadecyltrimethoxysilane Synonym
- Dynasylan 9116 Synonym
- Silane 116 Synonym
- Si 116 Synonym
- VP-Si 116 Synonym
- Trimethoxyhexadecylsilane Synonym
- Cetyltrimethoxysilane Synonym
- Silane 25013VP Synonym
- Cetyltrimethylsilane Synonym
- QX 1613 Synonym
- KH 310 Synonym
- CG 1613 Synonym
- H 1376 Synonym
- SIH 5925.0 Synonym
- Kh 1631 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 346.63 g/mol | CAS Common Chemistry |
| 346.62800000000004 g/mol | RDKit | |
| 346.628 g/mol | RDKit | |
| Density | 0.89 g/cm³ | CAS Common Chemistry |
| 0.890 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O(C)[Si](OC)(OC)CCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C19H42O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20-2,21-3)22-4/h5-19H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RSKGMYDENCAJEN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -1 °C | CAS Common Chemistry |
| Name | Hexadecyltrimethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 18 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 6.345800000000007 | RDKit |
| 6.3458 | RDKit | |
| Molar Refractivity | 101.90000000000009 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 346.290321734 g/mol | RDKit |
| Boiling Point | 155 °C @ 0.2 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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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MW = 346.63 g/mol; density = 0.890 g/mL. Edit any field — others recompute live.
