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Dodecamethylpentasiloxane
CAS: 141-63-9 | C12H36O4Si5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
141-63-9
Molecular Formula:
C12H36O4Si5
Molecular Mass:
384.85 g/mol
Names and Synonyms:
Dodecamethylpentasiloxane
Pentasiloxane, 1,1,1,3,3,5,5,7,7,9,9,9-dodecamethyl-
Pentasiloxane, dodecamethyl-
1,1,1,3,3,5,5,7,7,9,9,9-Dodecamethylpentasiloxane
Dodecamethylpentasiloxane
DC 200 Fluid 2
KF 96L2CS
PSF 2CST
PSF 2Cst Pure Silicone Fluid
MD 3M
Identifiers:
SMILES:
C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C
InChI:
InChI=1S/C12H36O4Si5/c1-17(2,3)13-19(7,8)15-21(11,12)16-20(9,10)14-18(4,5)6/h1-12H3
Key Properties
Boiling Point
232 °C
CAS Common Chemistry
Melting Point
-80 °C
CAS Common Chemistry
Density
0.88 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 | 384.85 g/mol | CAS Common Chemistry |
| 384.8460000000001 g/mol | RDKit | |
| 384.14599228199995 g/mol | RDKit | |
| Density | 0.88 g/cm³ | CAS Common Chemistry |
| 0.876 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 232 °C | CAS Common Chemistry |
| Canonical SMILES | O([Si](O[Si](O[Si](C)(C)C)(C)C)(C)C)[Si](O[Si](C)(C)C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H36O4Si5/c1-17(2,3)13-19(7,8)15-21(11,12)16-20(9,10)14-18(4,5)6/h1-12H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FBZANXDWQAVSTQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -80 °C | CAS Common Chemistry |
| Name | Dodecamethylpentasiloxane | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 36.92 Ų | RDKit |
| LogP | 4.828000000000005 | RDKit |
| Molar Refractivity | 103.47800000000007 | RDKit |
