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Molecule
Polyethylene Glycol Monomethyl Ether Mono[3-[Methylbis(Trimethylsiloxy)Silyl]Propyl] Ether
CAS: 27306-78-1 · C13H34O4Si3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 27306-78-1
- Molecular Formula
- C13H34O4Si3
- Molecular Mass
- 338.67 g/mol
Identifiers
CAS Registry Number
27306-78-1
SMILES
COCCOCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChI Key
JQRXTVACLHSVTF-UHFFFAOYSA-N
InChI
InChI=1S/C13H34O4Si3/c1-14-11-12-15-10-9-13-20(8,16-18(2,3)4)17-19(5,6)7/h9-13H2,1-8H3
Names and Synonyms
- Polyethylene Glycol Monomethyl Ether Mono[3-[Methylbis(Trimethylsiloxy)Silyl]Propyl] Ether Systematic Name
- Poly(oxy-1,2-ethanediyl), α-methyl-ω-[3-[1,3,3,3-tetramethyl-1-[(trimethylsilyl)oxy]-1-disiloxanyl]propoxy]- Synonym
- Glycols, polyethylene, methyl 3-[1,3,3,3-tetramethyl-1-(trimethylsiloxy)disiloxanyl]propyl ether Synonym
- Poly(oxy-1,2-ethanediyl), α-methyl-ω-[3-[1,3,3,3-tetramethyl-1-[(trimethylsilyl)oxy]disiloxanyl]propoxy]- Synonym
- 3-Oxa-2,4-disilaheptan-1-ol, 2,2,4-trimethyl-4-(trimethylsiloxy)-, monoether with polyethylene glycol Synonym
- Silwet L 77 Synonym
- Pentra-Bark Synonym
- Polyethylene glycol monomethyl ether mono[3-[methylbis(trimethylsiloxy)silyl]propyl] ether Synonym
- Silwet L 77J Synonym
- N 380 Synonym
- L 77 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 338.67 g/mol | CAS Common Chemistry |
| 338.6690000000001 g/mol | RDKit | |
| 338.669 g/mol | RDKit | |
| Boiling Point | 100 °C @ Press: <1 Torr | CAS Common Chemistry |
| Canonical SMILES | O(C)CCOCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C13H34O4Si3/c1-14-11-12-15-10-9-13-20(8,16-18(2,3)4)17-19(5,6)7/h9-13H2,1-8H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JQRXTVACLHSVTF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Polyethylene glycol monomethyl ether mono[3-[methylbis(trimethylsiloxy)silyl]propyl] ether | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 36.92 Ų | RDKit |
| LogP | 3.8145000000000024 | RDKit |
| 3.8145 | RDKit | |
| Molar Refractivity | 92.59900000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 338.176489158 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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100
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40
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 = 338.67 g/mol. Edit any field — others recompute live.
