Back to Search
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
Names and Synonyms:
1,3-Bis(4-Hydroxybutyl)Tetramethyldisiloxane
1-Butanol, 4,4′-(1,1,3,3-tetramethyl-1,3-disiloxanediyl)bis-
6-Oxa-5,7-disilaundecane-1,11-diol, 5,5,7,7-tetramethyl-
4,4′-(1,1,3,3-Tetramethyl-1,3-disiloxanediyl)bis[1-butanol]
1,3-Bis(4-hydroxybutyl)-1,1,3,3-tetramethyldisiloxane
1,3-Bis(4-hydroxybutyl)tetramethyldisiloxane
Identifiers:
SMILES:
C[Si](C)(CCCCO)O[Si](C)(C)CCCCO
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
Key Properties
Boiling Point
148-150 °C @ Press: 2 Torr
CAS Common Chemistry
Density
0.93 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 278.54 g/mol | CAS Common Chemistry |
| 278.541 g/mol | RDKit | |
| 278.17334788 g/mol | RDKit | |
| Density | 0.93 g/cm³ | CAS Common Chemistry |
| 0.930 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 148-150 °C @ Press: 2 Torr | 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 |
| Molar Refractivity | 78.30260000000006 | RDKit |
