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Molecule
(3-Chloropropoxy)(1,1-Dimethylethyl)Dimethylsilane
CAS: 89031-82-3 · C9H21ClOSi
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 89031-82-3
- Molecular Formula
- C9H21ClOSi
- Molecular Mass
- 208.81 g/mol
Identifiers
CAS Registry Number
89031-82-3
SMILES
CC(C)(C)[Si](C)(C)OCCCCl
InChI Key
LROUBCOBLAPPAT-UHFFFAOYSA-N
InChI
InChI=1S/C9H21ClOSi/c1-9(2,3)12(4,5)11-8-6-7-10/h6-8H2,1-5H3
Names and Synonyms
- (3-Chloropropoxy)(1,1-Dimethylethyl)Dimethylsilane Synonym
- Silane, (3-chloropropoxy)(1,1-dimethylethyl)dimethyl- Synonym
- (3-Chloropropoxy)(1,1-dimethylethyl)dimethylsilane Synonym
- tert-Butyl-(3-chloropropoxy)dimethylsilane Synonym
- 1-(tert-Butyldimethylsilyloxy)-3-chloropropane Synonym
- 3-(tert-Butyldimethylsiloxy)-1-chloropropane Synonym
- 3-(tert-Butyldimethylsilyloxy)-1-chloropropane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 208.81 g/mol | CAS Common Chemistry |
| 208.80499999999995 g/mol | RDKit | |
| 208.805 g/mol | RDKit | |
| 208.802 g/mol | chempirical lib | |
| Canonical SMILES | ClCCCO[Si](C)(C)C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H21ClOSi/c1-9(2,3)12(4,5)11-8-6-7-10/h6-8H2,1-5H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LROUBCOBLAPPAT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (3-Chloropropoxy)(1,1-dimethylethyl)dimethylsilane | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 3.637100000000003 | RDKit |
| 3.6371 | RDKit | |
| Molar Refractivity | 58.48600000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 208.10501950199998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
|---|
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 = 208.81 g/mol. Edit any field — others recompute live.
