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Molecule
Allyltributyltin
CAS: 24850-33-7 · C15H32Sn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 24850-33-7
- Molecular Formula
- C15H32Sn
- Molecular Mass
- 331.13199999999995 g/mol
Identifiers
CAS Registry Number
24850-33-7
SMILES
[CH2]C=C.[CH2]CCC.[CH2]CCC.[CH2]CCC.[Sn]
InChI Key
YLGRTLMDMVAFNI-UHFFFAOYSA-N
InChI
InChI=1S/3C4H9.C3H5.Sn/c3*1-3-4-2;1-3-2;/h3*1,3-4H2,2H3;3H,1-2H2;
Names and Synonyms
- Allyltributyltin Synonym
- Stannane, tributyl-2-propen-1-yl- Synonym
- Stannane, allyltributyl- Synonym
- Stannane, tributyl-2-propenyl- Synonym
- Tin, allyltributyl- Synonym
- Tributyl-2-propen-1-ylstannane Synonym
- Allyltributyltin Synonym
- Allyltributylstannane Synonym
- Tributylallylstannane Synonym
- Tributylallyltin Synonym
- 3-Tributylstannyl-1-propene Synonym
- Allyltri-n-butylstannane Synonym
- Allyltri-n-butyltin Synonym
- 3-(Tributyltin)-1-propene Synonym
- Tributyl(2-propenyl)stannane Synonym
- 2-Propenyltributylstannane Synonym
- (Propen-2-yl)tributyltin Synonym
- Tri(n-butyl)allylstannane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.068 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | C=CC[Sn](CCCC)(CCCC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/3C4H9.C3H5.Sn/c3*1-3-4-2;1-3-2;/h3*1,3-4H2,2H3;3H,1-2H2; | CAS Common Chemistry |
| InChI Key | InChIKey=YLGRTLMDMVAFNI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 134-135 °C | CAS Common Chemistry |
| Name | Allyltributyltin | CAS Common Chemistry |
| Molecular Mass | 331.13199999999995 g/mol | RDKit |
| 332.152595724 g/mol | RDKit | |
| 331.132 g/mol | RDKit | |
| 333.147 g/mol | chempirical lib | |
| Heavy Atom Count | 16 | 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 | 5.487460000000006 | RDKit |
| 5.4875 | RDKit | |
| Molar Refractivity | 82.10300000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 331.13 g/mol | CAS Common Chemistry |
| Boiling Point | 88-92 °C @ 0.2 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 331.13 g/mol; density = 1.070 g/mL. Edit any field — others recompute live.
