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Molecule
1,6-Bis(Trimethoxysilyl)Hexane
CAS: 87135-01-1 · C12H30O6Si2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 87135-01-1
- Molecular Formula
- C12H30O6Si2
- Molecular Mass
- 326.54 g/mol
Identifiers
CAS Registry Number
87135-01-1
SMILES
CO[Si](CCCCCC[Si](OC)(OC)OC)(OC)OC
InChI Key
GFKCWAROGHMSTC-UHFFFAOYSA-N
InChI
InChI=1S/C12H30O6Si2/c1-13-19(14-2,15-3)11-9-7-8-10-12-20(16-4,17-5)18-6/h7-12H2,1-6H3
Names and Synonyms
- 1,6-Bis(Trimethoxysilyl)Hexane Systematic Name
- 2,11-Dioxa-3,10-disiladodecane, 3,3,10,10-tetramethoxy- Synonym
- 3,3,10,10-Tetramethoxy-2,11-dioxa-3,10-disiladodecane Synonym
- 1,6-Bis(trimethoxysilyl)hexane Synonym
- B 2495.7 Synonym
- Z 6830 Synonym
- KBE 6830 Synonym
- KBM 3066 Synonym
- SIB 1832.7 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 326.54 g/mol | CAS Common Chemistry |
| 326.53800000000007 g/mol | RDKit | |
| 326.538 g/mol | RDKit | |
| Density | 1.01 g/cm³ | CAS Common Chemistry |
| 1.014 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O(C)[Si](OC)(OC)CCCCCC[Si](OC)(OC)OC | CAS Common Chemistry |
| InChI | InChI=1S/C12H30O6Si2/c1-13-19(14-2,15-3)11-9-7-8-10-12-20(16-4,17-5)18-6/h7-12H2,1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GFKCWAROGHMSTC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,6-Bis(trimethoxysilyl)hexane | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 13 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 55.38000000000001 Ų | RDKit |
| 55.38 Ų | RDKit | |
| LogP | 2.303 | RDKit |
| Molar Refractivity | 81.64400000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 326.15809174 g/mol | RDKit |
| Boiling Point | 161 °C @ 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 = 326.54 g/mol; density = 1.010 g/mL. Edit any field — others recompute live.
