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Molecule
Hexaethyldisiloxane
CAS: 994-49-0 · C12H30OSi2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 994-49-0
- Molecular Formula
- C12H30OSi2
- Molecular Mass
- 246.54 g/mol
Identifiers
CAS Registry Number
994-49-0
SMILES
CC[Si](CC)(CC)O[Si](CC)(CC)CC
InChI Key
WILBTFWIBAOWLN-UHFFFAOYSA-N
InChI
InChI=1S/C12H30OSi2/c1-7-14(8-2,9-3)13-15(10-4,11-5)12-6/h7-12H2,1-6H3
Names and Synonyms
- Hexaethyldisiloxane Common Name
- Disiloxane, 1,1,1,3,3,3-hexaethyl- Synonym
- Disiloxane, hexaethyl- Synonym
- 1,1,1,3,3,3-Hexaethyldisiloxane Synonym
- Hexaethyldisiloxane Synonym
- Bis(triethylsilyl) ether Synonym
- NSC 139841 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 246.54 g/mol | CAS Common Chemistry |
| 246.54299999999992 g/mol | RDKit | |
| 246.543 g/mol | RDKit | |
| Density | 0.84 g/cm³ | CAS Common Chemistry |
| 0.844 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 233 °C | CAS Common Chemistry |
| Canonical SMILES | O([Si](CC)(CC)CC)[Si](CC)(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C12H30OSi2/c1-7-14(8-2,9-3)13-15(10-4,11-5)12-6/h7-12H2,1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WILBTFWIBAOWLN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -115 °C | CAS Common Chemistry |
| Name | Hexaethyldisiloxane | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 5.013400000000005 | RDKit |
| 5.0134 | RDKit | |
| 5.13 | chempirical lib | |
| Molar Refractivity | 75.47900000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 246.18351864 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 |
|---|
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 = 246.54 g/mol; density = 0.840 g/mL. Edit any field — others recompute live.
