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Caprylyl Methicone
CAS: 17955-88-3 | C15H38O2Si3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
17955-88-3
Molecular Formula:
C15H38O2Si3
Molecular Mass:
334.72 g/mol
Names and Synonyms:
Caprylyl Methicone
Trisiloxane, 1,1,1,3,5,5,5-heptamethyl-3-octyl-
1,1,1,3,5,5,5-Heptamethyl-3-octyltrisiloxane
Heptamethyloctyltrisiloxane
Silsoft 034
SilCare 41M15
Caprylyl methicone
SS 3408
Silsoft 034 Silicone
3-Octylheptamethyltrisiloxane
Dow Corning FZ 3196
FZ 3196
Dowsil FZ 3196
Identifiers:
SMILES:
CCCCCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChI:
InChI=1S/C15H38O2Si3/c1-9-10-11-12-13-14-15-20(8,16-18(2,3)4)17-19(5,6)7/h9-15H2,1-8H3
Key Properties
Boiling Point
84-88 °C @ Press: 0.3 Torr
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
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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 |
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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 | 334.72 g/mol | CAS Common Chemistry |
| 334.7250000000001 g/mol | RDKit | |
| 334.217960046 g/mol | RDKit | |
| Boiling Point | 84-88 °C @ Press: 0.3 Torr | CAS Common Chemistry |
| Canonical SMILES | O([Si](C)(C)C)[Si](O[Si](C)(C)C)(C)CCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C15H38O2Si3/c1-9-10-11-12-13-14-15-20(8,16-18(2,3)4)17-19(5,6)7/h9-15H2,1-8H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SCRSFLUHMDMRFP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Caprylyl methicone | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 6.121900000000007 | RDKit |
| Molar Refractivity | 98.66300000000007 | RDKit |
