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Molecule
3-(3-Chloropropyl)-1,1,1,5,5,5-Hexamethyl-3-[(Trimethylsilyl)Oxy]Trisiloxane
CAS: 18077-31-1 · C12H33ClO3Si4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 18077-31-1
- Molecular Formula
- C12H33ClO3Si4
- Molecular Mass
- 373.19 g/mol
Identifiers
CAS Registry Number
18077-31-1
SMILES
C[Si](C)(C)O[Si](CCCCl)(O[Si](C)(C)C)O[Si](C)(C)C
InChI Key
MMWCHSBIWFYBBL-UHFFFAOYSA-N
InChI
InChI=1S/C12H33ClO3Si4/c1-17(2,3)14-20(12-10-11-13,15-18(4,5)6)16-19(7,8)9/h10-12H2,1-9H3
Names and Synonyms
- 3-(3-Chloropropyl)-1,1,1,5,5,5-Hexamethyl-3-[(Trimethylsilyl)Oxy]Trisiloxane Synonym
- Trisiloxane, 3-(3-chloropropyl)-1,1,1,5,5,5-hexamethyl-3-[(trimethylsilyl)oxy]- Synonym
- Trisiloxane, 3-(3-chloropropyl)-1,1,1,5,5,5-hexamethyl-3-(trimethylsiloxy)- Synonym
- 3-(3-Chloropropyl)-1,1,1,5,5,5-hexamethyl-3-[(trimethylsilyl)oxy]trisiloxane Synonym
- 3-Chloropropyltris(trimethylsiloxy)silane Synonym
- 3-Chloropropyltris(trimethylsilyloxy)silane Synonym
- (γ-Chloropropyl)tri(trimethylsiloxy)silane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 373.19 g/mol | CAS Common Chemistry |
| 373.19000000000005 g/mol | RDKit | |
| 373.187 g/mol | chempirical lib | |
| Density | 0.92 g/cm³ | CAS Common Chemistry |
| 0.922 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Canonical SMILES | ClCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H33ClO3Si4/c1-17(2,3)14-20(12-10-11-13,15-18(4,5)6)16-19(7,8)9/h10-12H2,1-9H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MMWCHSBIWFYBBL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3-(3-Chloropropyl)-1,1,1,5,5,5-hexamethyl-3-[(trimethylsilyl)oxy]trisiloxane | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 5.108700000000005 | RDKit |
| 5.1087 | RDKit | |
| 5.61 | chempirical lib | |
| Molar Refractivity | 99.19100000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 372.119528716 g/mol | RDKit |
| Boiling Point | 181 °C @ 100 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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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.
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MW = 373.19 g/mol; density = 0.920 g/mL. Edit any field — others recompute live.
