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Phenyltris(Butanoxime)Silane
CAS: 34036-80-1 | C18H29N3O3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
34036-80-1
Molecular Formula:
C18H29N3O3Si
Molecular Mass:
363.53 g/mol
Names and Synonyms:
Phenyltris(Butanoxime)Silane
2-Butanone, 2,2′,2′′-[O,O′,O′′-(phenylsilylidyne)trioxime]
2-Butanone, O,O′,O′′-(phenylsilylidyne)trioxime
Phenyltris(1-methylpropylideneaminooxy)silane
Phenyltri(methyl ethyl ketoxime)silane
Phenyltris(butanoxime)silane
Phenyltris(methyl ethyl ketoxime)silane
Phenyl tris(methyl ethyl ketoximino)silane
Identifiers:
SMILES:
CCC(C)=NO[Si](ON=C(C)CC)(ON=C(C)CC)c1ccccc1
InChI:
InChI=1S/C18H29N3O3Si/c1-7-15(4)19-22-25(23-20-16(5)8-2,24-21-17(6)9-3)18-13-11-10-12-14-18/h10-14H,7-9H2,1-6H3
Key Properties
Boiling Point
60-65 °C @ Press: 3 Torr
CAS Common Chemistry
Density
1.00 g/cm³
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
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 363.53 g/mol | CAS Common Chemistry |
| 363.53400000000005 g/mol | RDKit | |
| 363.19781831800003 g/mol | RDKit | |
| Density | 1.00 g/cm³ | CAS Common Chemistry |
| 0.995 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 60-65 °C @ Press: 3 Torr | CAS Common Chemistry |
| Canonical SMILES | N(O[Si](ON=C(C)CC)(ON=C(C)CC)C=1C=CC=CC1)=C(C)CC | CAS Common Chemistry |
| InChI | InChI=1S/C18H29N3O3Si/c1-7-15(4)19-22-25(23-20-16(5)8-2,24-21-17(6)9-3)18-13-11-10-12-14-18/h10-14H,7-9H2,1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XKBQRJBETDMEFN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Phenyltris(butanoxime)silane | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 64.77 Ų | RDKit |
| LogP | 4.240000000000004 | RDKit |
| Molar Refractivity | 105.28500000000005 | RDKit |
