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Molecule
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
- 317.10499999999996 g/mol
Identifiers
CAS Registry Number
7486-35-3
SMILES
[CH2]CCC.[CH2]CCC.[CH2]CCC.[CH]=C.[Sn]
InChI Key
QIWRFOJWQSSRJZ-UHFFFAOYSA-N
InChI
InChI=1S/3C4H9.C2H3.Sn/c3*1-3-4-2;1-2;/h3*1,3-4H2,2H3;1H,2H2;
Names and Synonyms
- Vinyl Tributyltin Common Name
- Stannane, tributylethenyl- Synonym
- Stannane, tributylvinyl- Synonym
- Tin, tributylvinyl- Synonym
- Tributylethenylstannane Synonym
- Tributylvinylstannane Synonym
- Vinyltributylstannane Synonym
- Tributylvinyltin Synonym
- Vinyltributyltin Synonym
- Ethenyltributylstannane Synonym
- (Tributylstannyl)ethene Synonym
- (Tributylstannyl)ethylene Synonym
- (Ethenyl)tributyltin Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Density | 1.08 g/cm³ | CAS Common Chemistry |
| 1.081 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Vinyl_tributyltin | 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 |
| Molecular Mass | 317.10499999999996 g/mol | RDKit |
| 318.13694566 g/mol | RDKit | |
| 317.105 g/mol | RDKit | |
| 319.12 g/mol | chempirical lib | |
| 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 |
| 5.0864 | RDKit | |
| Molar Refractivity | 76.47600000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6429 | RDKit |
| Exact Mass | 317.10 g/mol | CAS Common Chemistry |
| Boiling Point | 95 °C @ 1.5 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 317.10 g/mol; density = 1.080 g/mL. Edit any field — others recompute live.
