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Molecule
Acryloxypropyltrimethoxysilane
CAS: 4369-14-6 · C9H18O5Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4369-14-6
- Molecular Formula
- C9H18O5Si
- Molecular Mass
- 234.32 g/mol
Identifiers
CAS Registry Number
4369-14-6
SMILES
C=CC(=O)OCCC[Si](OC)(OC)OC
InChI Key
KBQVDAIIQCXKPI-UHFFFAOYSA-N
InChI
InChI=1S/C9H18O5Si/c1-5-9(10)14-7-6-8-15(11-2,12-3)13-4/h5H,1,6-8H2,2-4H3
Names and Synonyms
- Acryloxypropyltrimethoxysilane Synonym
- 2-Propenoic acid, 3-(trimethoxysilyl)propyl ester Synonym
- Acrylic acid, 3-(trimethoxysilyl)propyl ester Synonym
- 1-Propanol, 3-(trimethoxysilyl)-, acrylate Synonym
- 3-(Trimethoxysilyl)propyl acrylate Synonym
- A 0397 Synonym
- [3-(Acryloyloxy)propyl]trimethoxysilane Synonym
- [γ-(Acryloyloxy)propyl]trimethoxysilane Synonym
- KBM 5103 Synonym
- Acryloxypropyltrimethoxysilane Synonym
- (3-Acryloxypropyl)trimethoxysilane Synonym
- γ-Acryloxypropyltrimethoxysilane Synonym
- AY 43-310M Synonym
- KMB 5103 Synonym
- SIA 0200.0 Synonym
- A 1597 Synonym
- KBM 5013 Synonym
- Trimethoxysilylpropyl acrylate Synonym
- KBE 5103 Synonym
- VPS-ACMO Synonym
- 3-Trimethoxysilylpropyl prop-2-enoate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 234.32 g/mol | CAS Common Chemistry |
| 234.32399999999996 g/mol | RDKit | |
| 234.324 g/mol | RDKit | |
| Density | 1.00 g/cm³ | CAS Common Chemistry |
| 1 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=C(OCCC[Si](OC)(OC)OC)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C9H18O5Si/c1-5-9(10)14-7-6-8-15(11-2,12-3)13-4/h5H,1,6-8H2,2-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KBQVDAIIQCXKPI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Acryloxypropyltrimethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 53.99000000000001 Ų | RDKit |
| 53.99 Ų | RDKit | |
| LogP | 0.9837999999999998 | RDKit |
| 0.9838 | RDKit | |
| Molar Refractivity | 57.36100000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 234.09235020600002 g/mol | RDKit |
| Boiling Point | 68 °C @ 0.4 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 234.32 g/mol; density = 1.000 g/mL. Edit any field — others recompute live.
