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Molecule
(3-Isocyanatopropyl)Dimethoxymethylsilane
CAS: 26115-72-0 · C7H15NO3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 26115-72-0
- Molecular Formula
- C7H15NO3Si
- Molecular Mass
- 189.29 g/mol
Identifiers
CAS Registry Number
26115-72-0
SMILES
CO[Si](C)(CCCN=C=O)OC
InChI Key
NNTRMVRTACZZIO-UHFFFAOYSA-N
InChI
InChI=1S/C7H15NO3Si/c1-10-12(3,11-2)6-4-5-8-7-9/h4-6H2,1-3H3
Names and Synonyms
- (3-Isocyanatopropyl)Dimethoxymethylsilane Synonym
- Silane, (3-isocyanatopropyl)dimethoxymethyl- Synonym
- Isocyanic acid, 3-(dimethoxymethylsilyl)propyl ester Synonym
- (3-Isocyanatopropyl)dimethoxymethylsilane Synonym
- (Methyldimethoxysilyl)propyl isocyanate Synonym
- KBM 9207 Synonym
- (γ-Isocyanatopropyl)methyldimethoxysilane Synonym
- (3-Isocyanatopropyl)methyldimethoxysilane Synonym
- (γ-Isocyanatopropyl)dimethoxymethylsilane Synonym
- 3-(Isocyanatopropyl)dimethoxymethylsilane Synonym
- Hongtu T 02 Synonym
- T 02 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 189.29 g/mol | CAS Common Chemistry |
| 189.28699999999998 g/mol | RDKit | |
| 189.287 g/mol | RDKit | |
| Canonical SMILES | O=C=NCCC[Si](OC)(OC)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H15NO3Si/c1-10-12(3,11-2)6-4-5-8-7-9/h4-6H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NNTRMVRTACZZIO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (3-Isocyanatopropyl)dimethoxymethylsilane | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 47.89 Ų | RDKit |
| LogP | 1.0770999999999997 | RDKit |
| 1.0771 | RDKit | |
| Molar Refractivity | 48.04850000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8571 | RDKit |
| 0.86 | chempirical lib | |
| Exact Mass | 189.08211987 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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 = 189.29 g/mol. Edit any field — others recompute live.
