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Molecule
Trioctylsilane
CAS: 18765-09-8 · C24H52Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 18765-09-8
- Molecular Formula
- C24H52Si
- Molecular Mass
- 368.77 g/mol
Identifiers
CAS Registry Number
18765-09-8
SMILES
CCCCCCCC[SiH](CCCCCCCC)CCCCCCCC
InChI Key
JBAALNCKQCMFDH-UHFFFAOYSA-N
InChI
InChI=1S/C24H52Si/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h25H,4-24H2,1-3H3
Names and Synonyms
- Trioctylsilane Common Name
- Silane, trioctyl- Synonym
- Trioctylsilane Synonym
- NSC 139862 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 368.77 g/mol | CAS Common Chemistry |
| 368.76600000000025 g/mol | RDKit | |
| 368.766 g/mol | RDKit | |
| Density | 0.82 g/cm³ | CAS Common Chemistry |
| 0.821 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | CCCCCCCC[SiH](CCCCCCCC)CCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C24H52Si/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h25H,4-24H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JBAALNCKQCMFDH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Trioctylsilane | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 21 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 9.295 | RDKit |
| 9.85 | chempirical lib | |
| Molar Refractivity | 121.6980000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 368.383828194 g/mol | RDKit |
| Boiling Point | 163-165 °C @ 0.15 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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6
5
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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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MW = 368.77 g/mol; density = 0.820 g/mL. Edit any field — others recompute live.
