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Molecule
Dodecamethylpentasiloxane
CAS: 141-63-9 · C12H36O4Si5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 141-63-9
- Molecular Formula
- C12H36O4Si5
- Molecular Mass
- 384.85 g/mol
Identifiers
CAS Registry Number
141-63-9
SMILES
C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C
InChI Key
FBZANXDWQAVSTQ-UHFFFAOYSA-N
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
Names and Synonyms
- Dodecamethylpentasiloxane Common Name
- Pentasiloxane, 1,1,1,3,3,5,5,7,7,9,9,9-dodecamethyl- Synonym
- Pentasiloxane, dodecamethyl- Synonym
- 1,1,1,3,3,5,5,7,7,9,9,9-Dodecamethylpentasiloxane Synonym
- Dodecamethylpentasiloxane Synonym
- DC 200 Fluid 2 Synonym
- KF 96L2CS Synonym
- PSF 2CST Synonym
- PSF 2Cst Pure Silicone Fluid Synonym
- MD 3M Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Boiling Point | 232 °C | CAS Common Chemistry |
| Molecular Mass | 384.85 g/mol | CAS Common Chemistry |
| 384.8460000000001 g/mol | RDKit | |
| 384.846 g/mol | RDKit | |
| Density | 0.88 g/cm³ | CAS Common Chemistry |
| 0.876 g/cm3 | 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 |
| 4.828 | RDKit | |
| 5.0 | chempirical lib | |
| Molar Refractivity | 103.47800000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 384.14599228199995 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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140
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20
0 ppm
| 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 = 384.85 g/mol; density = 0.880 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H36O4Si5.
