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Molecule
Caprylyl Methicone
CAS: 17955-88-3 · C15H38O2Si3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 17955-88-3
- Molecular Formula
- C15H38O2Si3
- Molecular Mass
- 334.72 g/mol
Identifiers
CAS Registry Number
17955-88-3
SMILES
CCCCCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChI Key
SCRSFLUHMDMRFP-UHFFFAOYSA-N
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
Names and Synonyms
- Caprylyl Methicone Synonym
- Trisiloxane, 1,1,1,3,5,5,5-heptamethyl-3-octyl- Synonym
- 1,1,1,3,5,5,5-Heptamethyl-3-octyltrisiloxane Synonym
- Heptamethyloctyltrisiloxane Synonym
- Silsoft 034 Synonym
- SilCare 41M15 Synonym
- Caprylyl methicone Synonym
- SS 3408 Synonym
- Silsoft 034 Silicone Synonym
- 3-Octylheptamethyltrisiloxane Synonym
- Dow Corning FZ 3196 Synonym
- FZ 3196 Synonym
- Dowsil FZ 3196 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 334.72 g/mol | CAS Common Chemistry |
| 334.7250000000001 g/mol | RDKit | |
| 334.725 g/mol | RDKit | |
| 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 |
| 6.1219 | RDKit | |
| 6.26 | chempirical lib | |
| Molar Refractivity | 98.66300000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 334.217960046 g/mol | RDKit |
| Boiling Point | 84-88 °C @ 0.3 Torr | CAS Common Chemistry |
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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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.
External Resources
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MW = 334.72 g/mol. Edit any field — others recompute live.
