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Molecule
Dodecamethylcyclohexasiloxane
CAS: 540-97-6 · C12H36O6Si6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 540-97-6
- Molecular Formula
- C12H36O6Si6
- Molecular Mass
- 444.93 g/mol
Identifiers
CAS Registry Number
540-97-6
SMILES
C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1
InChI Key
IUMSDRXLFWAGNT-UHFFFAOYSA-N
InChI
InChI=1S/C12H36O6Si6/c1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19/h1-12H3
Names and Synonyms
- Dodecamethylcyclohexasiloxane Common Name
- Cyclohexasiloxane, 2,2,4,4,6,6,8,8,10,10,12,12-dodecamethyl- Synonym
- Cyclohexasiloxane, dodecamethyl- Synonym
- 2,2,4,4,6,6,8,8,10,10,12,12-Dodecamethylcyclohexasiloxane Synonym
- Dodecamethylcyclohexasiloxane Synonym
- Dodecamethylhexacyclosiloxane Synonym
- DC 246 Synonym
- Dow Corning 246 Synonym
- Dow Corning 246 Fluid Synonym
- DC 246 Fluid Synonym
- SH 246 Synonym
- SH 246 Fluid Synonym
- Xiameter PMX 0246 Synonym
- SF 1258 Synonym
- Cyclohexadimethylsiloxane Synonym
- Hexadecamethylcyclohexasiloxane Synonym
- 2,2,4,4,6,6,8,8,10,10,12,12-Dodecamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 444.93 g/mol | CAS Common Chemistry |
| 444.9300000000002 g/mol | RDKit | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.9672 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 245 °C | CAS Common Chemistry |
| Canonical SMILES | O1[Si](O[Si](O[Si](O[Si](O[Si](O[Si]1(C)C)(C)C)(C)C)(C)C)(C)C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H36O6Si6/c1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19/h1-12H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IUMSDRXLFWAGNT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -3 °C | CAS Common Chemistry |
| Name | Dodecamethylcyclohexasiloxane | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 55.38000000000001 Ų | RDKit |
| 55.38 Ų | RDKit | |
| LogP | 4.310400000000003 | RDKit |
| 4.3104 | RDKit | |
| 4.42 | chempirical lib | |
| Molar Refractivity | 111.40200000000006 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 444.1127480519999 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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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.
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MW = 444.93 g/mol; density = 0.970 g/mL. Edit any field — others recompute live.
