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Molecule
1,3-Bis(4-Hydroxybutyl)Tetramethyldisiloxane
CAS: 5931-17-9 · C12H30O3Si2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 5931-17-9
- Molecular Formula
- C12H30O3Si2
- Molecular Mass
- 278.54 g/mol
Identifiers
CAS Registry Number
5931-17-9
SMILES
C[Si](C)(CCCCO)O[Si](C)(C)CCCCO
InChI Key
OWJKJLOCIDNNGJ-UHFFFAOYSA-N
InChI
InChI=1S/C12H30O3Si2/c1-16(2,11-7-5-9-13)15-17(3,4)12-8-6-10-14/h13-14H,5-12H2,1-4H3
Names and Synonyms
- 1,3-Bis(4-Hydroxybutyl)Tetramethyldisiloxane Synonym
- 1-Butanol, 4,4′-(1,1,3,3-tetramethyl-1,3-disiloxanediyl)bis- Synonym
- 6-Oxa-5,7-disilaundecane-1,11-diol, 5,5,7,7-tetramethyl- Synonym
- 4,4′-(1,1,3,3-Tetramethyl-1,3-disiloxanediyl)bis[1-butanol] Synonym
- 1,3-Bis(4-hydroxybutyl)-1,1,3,3-tetramethyldisiloxane Synonym
- 1,3-Bis(4-hydroxybutyl)tetramethyldisiloxane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 278.54 g/mol | CAS Common Chemistry |
| 278.541 g/mol | RDKit | |
| Density | 0.93 g/cm³ | CAS Common Chemistry |
| 0.930 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | OCCCC[Si](O[Si](C)(C)CCCCO)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H30O3Si2/c1-16(2,11-7-5-9-13)15-17(3,4)12-8-6-10-14/h13-14H,5-12H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OWJKJLOCIDNNGJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,3-Bis(4-hydroxybutyl)tetramethyldisiloxane | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 49.69 Ų | RDKit |
| LogP | 2.958200000000002 | RDKit |
| 2.9582 | RDKit | |
| Molar Refractivity | 78.30260000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 278.17334788 g/mol | RDKit |
| Boiling Point | 148-150 °C @ 2 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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 = 278.54 g/mol; density = 0.930 g/mL. Edit any field — others recompute live.
