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Molecule
2,4,6-Trimethyl-2,4,6-Trivinylcyclotrisiloxane
CAS: 3901-77-7 · C9H18O3Si3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3901-77-7
- Molecular Formula
- C9H18O3Si3
- Molecular Mass
- 258.50 g/mol
Identifiers
CAS Registry Number
3901-77-7
SMILES
C=C[Si]1(C)O[Si](C)(C=C)O[Si](C)(C=C)O1
InChI Key
BVTLTBONLZSBJC-UHFFFAOYSA-N
InChI
InChI=1S/C9H18O3Si3/c1-7-13(4)10-14(5,8-2)12-15(6,9-3)11-13/h7-9H,1-3H2,4-6H3
Names and Synonyms
- 2,4,6-Trimethyl-2,4,6-Trivinylcyclotrisiloxane Synonym
- Cyclotrisiloxane, 2,4,6-triethenyl-2,4,6-trimethyl- Synonym
- Cyclotrisiloxane, 2,4,6-trimethyl-2,4,6-trivinyl- Synonym
- 2,4,6-Triethenyl-2,4,6-trimethylcyclotrisiloxane Synonym
- 2,4,6-Trimethyl-2,4,6-trivinylcyclotrisiloxane Synonym
- LS 8170 Synonym
- NSC 242021 Synonym
- Trimethyltrivinylcyclotrisiloxane Synonym
- 2,4,6-Tris(ethenyl)-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinane Synonym
- 2,4,6-Trimethyl-2,4,6-trivinyl-1,3,5,2,4,6-trioxatrisilinane Synonym
- 2,4,6-Triethenyl-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 258.50 g/mol | CAS Common Chemistry |
| 258.49799999999993 g/mol | RDKit | |
| 258.498 g/mol | RDKit | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.966 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O1[Si](O[Si](O[Si]1(C=C)C)(C=C)C)(C=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H18O3Si3/c1-7-13(4)10-14(5,8-2)12-15(6,9-3)11-13/h7-9H,1-3H2,4-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BVTLTBONLZSBJC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,4,6-Trimethyl-2,4,6-trivinylcyclotrisiloxane | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 2.4414000000000007 | RDKit |
| 2.4414 | RDKit | |
| 2.31 | chempirical lib | |
| Molar Refractivity | 68.70000000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 258.056374026 g/mol | RDKit |
| Boiling Point | 80 °C @ 20 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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.
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MW = 258.50 g/mol; density = 0.970 g/mL. Edit any field — others recompute live.
