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Hexamethylcyclotrisiloxane
CAS: 541-05-9 | C6H18O3Si3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
541-05-9
Molecular Formula:
C6H18O3Si3
Molecular Mass:
222.47 g/mol
Names and Synonyms:
Hexamethylcyclotrisiloxane
Cyclotrisiloxane, 2,2,4,4,6,6-hexamethyl-
Cyclotrisiloxane, hexamethyl-
2,2,4,4,6,6-Hexamethylcyclotrisiloxane
Dimethylsiloxane cyclic trimer
Hexamethylcyclotrisiloxane
SDK 10
LS 8120
D 3
Identifiers:
SMILES:
C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1
InChI:
InChI=1S/C6H18O3Si3/c1-10(2)7-11(3,4)9-12(5,6)8-10/h1-6H3
Key Properties
Boiling Point
134 °C
CAS Common Chemistry
Melting Point
64.5 °C
CAS Common Chemistry
Density
1.02 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 | 222.47 g/mol | CAS Common Chemistry |
| 222.46499999999995 g/mol | RDKit | |
| 222.056374026 g/mol | RDKit | |
| Density | 1.02 g/cm³ | CAS Common Chemistry |
| 1.020 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Hexamethylcyclotrisiloxane | CAS Common Chemistry |
| Boiling Point | 134 °C | CAS Common Chemistry |
| Canonical SMILES | O1[Si](O[Si](O[Si]1(C)C)(C)C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H18O3Si3/c1-10(2)7-11(3,4)9-12(5,6)8-10/h1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HTDJPCNNEPUOOQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 64.5 °C | CAS Common Chemistry |
| Name | Hexamethylcyclotrisiloxane | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 2.1552 | RDKit |
| Molar Refractivity | 55.701000000000036 | RDKit |
