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Molecule
4,4,13,13-Tetraethoxy-3,14-Dioxa-8,9-Dithia-4,13-Disilahexadecane
CAS: 56706-10-6 · C18H42O6S2Si2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 56706-10-6
- Molecular Formula
- C18H42O6S2Si2
- Molecular Mass
- 474.83 g/mol
Identifiers
CAS Registry Number
56706-10-6
SMILES
CCO[Si](CCCSSCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChI Key
FBBATURSCRIBHN-UHFFFAOYSA-N
InChI
InChI=1S/C18H42O6S2Si2/c1-7-19-27(20-8-2,21-9-3)17-13-15-25-26-16-14-18-28(22-10-4,23-11-5)24-12-6/h7-18H2,1-6H3
Names and Synonyms
- 4,4,13,13-Tetraethoxy-3,14-Dioxa-8,9-Dithia-4,13-Disilahexadecane Synonym
- 3,14-Dioxa-8,9-dithia-4,13-disilahexadecane, 4,4,13,13-tetraethoxy- Synonym
- 4,4,13,13-Tetraethoxy-3,14-dioxa-8,9-dithia-4,13-disilahexadecane Synonym
- Bis[3-(triethoxysilyl)propyl] disulfide Synonym
- 3,3′-Bis(triethoxysilylpropyl) disulfide Synonym
- Si 266 Synonym
- Si 75 (sulfide) Synonym
- Si 75 Synonym
- Silquest A 1589 Synonym
- A 1589 Synonym
- Degussa Si 75 Synonym
- SCA 985 Synonym
- KBE 886B Synonym
- Cabrus 2A Synonym
- Si 266/2 Synonym
- SIB 1824.6 Synonym
- Bis[γ-(triethoxysilyl)propyl] disulfide Synonym
- Struktol 985 Synonym
- Irusil S 175 Synonym
- Z 6820 Synonym
- CF 4289 Synonym
- Bis-(triethoxysilylpropyl)disulfane Synonym
- Struktol SCA 985 Synonym
- SG-Si 996 Synonym
- X 75S Synonym
- HP 1589 Synonym
- OFS 6920 Synonym
- Xiameter OFS 6920 Synonym
- Luvomaxx TESPD Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 474.83 g/mol | CAS Common Chemistry |
| 474.8340000000004 g/mol | RDKit | |
| 474.834 g/mol | RDKit | |
| 474.82 g/mol | chempirical lib | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.025 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O(CC)[Si](OCC)(OCC)CCCSSCCC[Si](OCC)(OCC)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C18H42O6S2Si2/c1-7-19-27(20-8-2,21-9-3)17-13-15-25-26-16-14-18-28(22-10-4,23-11-5)24-12-6/h7-18H2,1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FBBATURSCRIBHN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4,4,13,13-Tetraethoxy-3,14-dioxa-8,9-dithia-4,13-disilahexadecane | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 21 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 55.38000000000001 Ų | RDKit |
| 55.38 Ų | RDKit | |
| LogP | 5.244800000000006 | RDKit |
| 5.2448 | RDKit | |
| Molar Refractivity | 125.02800000000008 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 474.1961341239999 g/mol | RDKit |
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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20
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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.
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MW = 474.83 g/mol; density = 1.030 g/mL. Edit any field — others recompute live.
