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Vinyl Tributyltin
CAS: 7486-35-3 | C14H30Sn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7486-35-3
Molecular Formula:
C14H30Sn
Molecular Mass:
317.10 g/mol
Names and Synonyms:
Vinyl Tributyltin
Stannane, tributylethenyl-
Stannane, tributylvinyl-
Tin, tributylvinyl-
Tributylethenylstannane
Tributylvinylstannane
Vinyltributylstannane
Tributylvinyltin
Vinyltributyltin
Ethenyltributylstannane
(Tributylstannyl)ethene
(Tributylstannyl)ethylene
(Ethenyl)tributyltin
Identifiers:
SMILES:
[CH2]CCC.[CH2]CCC.[CH2]CCC.[CH]=C.[Sn]
InChI:
InChI=1S/3C4H9.C2H3.Sn/c3*1-3-4-2;1-2;/h3*1,3-4H2,2H3;1H,2H2;
Key Properties
Boiling Point
95 °C @ Press: 1.5 Torr
CAS Common Chemistry
Melting Point
253-254 °C @ Solvent: Chloroform, Hexane
CAS Common Chemistry
Density
1.08 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 | 317.10 g/mol | CAS Common Chemistry |
| 317.10499999999996 g/mol | RDKit | |
| 318.13694566 g/mol | RDKit | |
| Density | 1.08 g/cm³ | CAS Common Chemistry |
| 1.081 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Vinyl_tributyltin | CAS Common Chemistry |
| Boiling Point | 95 °C @ Press: 1.5 Torr | CAS Common Chemistry |
| Canonical SMILES | C=C[Sn](CCCC)(CCCC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/3C4H9.C2H3.Sn/c3*1-3-4-2;1-2;/h3*1,3-4H2,2H3;1H,2H2; | CAS Common Chemistry |
| InChI Key | InChIKey=QIWRFOJWQSSRJZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 253-254 °C @ Solvent: Chloroform, Hexane | CAS Common Chemistry |
| Name | Tributylvinyltin | CAS Common Chemistry |
| Vinyl tributyltin | CAS Common Chemistry | |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 5.086360000000005 | RDKit |
| Molar Refractivity | 76.47600000000006 | RDKit |
