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1,1,1,3,5,5,5-Heptamethyltrisiloxane
CAS: 1873-88-7 | C7H22O2Si3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1873-88-7
Molecular Formula:
C7H22O2Si3
Molecular Mass:
222.51 g/mol
Names and Synonyms:
1,1,1,3,5,5,5-Heptamethyltrisiloxane
Trisiloxane, 1,1,1,3,5,5,5-heptamethyl-
1,1,1,3,5,5,5-Heptamethyltrisiloxane
Methylbis(trimethylsilyloxy)silane
2,2,4,6,6-Pentamethyl-3,5-dioxa-2,4,6-trisilaheptane
Bis(trimethylsilyloxy)methylsilane
Methylbis(trimethylsiloxy)silane
Bis(trimethylsiloxy)methylsilane
1,1,1,3,5,5,5-Heptamethylsiloxane
Heptamethylhydrotrisiloxane
SIB 1844.0
SIB 1844
2-Hydro-1,1,1,2,3,3,3-heptamethyltrisiloxane
Identifiers:
SMILES:
C[SiH](O[Si](C)(C)C)O[Si](C)(C)C
InChI:
InChI=1S/C7H22O2Si3/c1-10(8-11(2,3)4)9-12(5,6)7/h10H,1-7H3
Key Properties
Boiling Point
141-142 °C
CAS Common Chemistry
Density
0.81 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 222.51 g/mol | CAS Common Chemistry |
| 222.509 g/mol | RDKit | |
| 222.09275953399998 g/mol | RDKit | |
| Density | 0.81 g/cm³ | CAS Common Chemistry |
| 0.813 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 141-142 °C | CAS Common Chemistry |
| Canonical SMILES | O([SiH](O[Si](C)(C)C)C)[Si](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H22O2Si3/c1-10(8-11(2,3)4)9-12(5,6)7/h10H,1-7H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QNWOFLWXQGHSRH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1,1,3,5,5,5-Heptamethyltrisiloxane | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 2.5397000000000007 | RDKit |
| Molar Refractivity | 61.87500000000004 | RDKit |
