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1,1,1,3,3,5,5-Heptamethyltrisiloxane
CAS: 2895-07-0 | C7H22O2Si3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2895-07-0
Molecular Formula:
C7H22O2Si3
Molecular Mass:
222.51 g/mol
Names and Synonyms:
1,1,1,3,3,5,5-Heptamethyltrisiloxane
Trisiloxane, 1,1,1,3,3,5,5-heptamethyl-
1,1,1,3,3,5,5-Heptamethyltrisiloxane
Heptamethyltrisiloxane
1,1,3,3,5,5,5-Heptamethyltrisiloxane
Identifiers:
SMILES:
C[SiH](C)O[Si](C)(C)O[Si](C)(C)C
InChI:
InChI=1S/C7H22O2Si3/c1-10(2)8-12(6,7)9-11(3,4)5/h10H,1-7H3
Key Properties
Boiling Point
134-135 °C
CAS Common Chemistry
Density
0.82 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 | 0.82 g/cm³ | CAS Common Chemistry |
| 0.820 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 134-135 °C | CAS Common Chemistry |
| Canonical SMILES | O([SiH](C)C)[Si](O[Si](C)(C)C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H22O2Si3/c1-10(2)8-12(6,7)9-11(3,4)5/h10H,1-7H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MWYMHZINPCTWSB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1,1,3,3,5,5-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 |
