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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:
331.13 g/mol
Names and Synonyms:
Allyltributyltin
Stannane, tributyl-2-propen-1-yl-
Stannane, allyltributyl-
Stannane, tributyl-2-propenyl-
Tin, allyltributyl-
Tributyl-2-propen-1-ylstannane
Allyltributyltin
Allyltributylstannane
Tributylallylstannane
Tributylallyltin
3-Tributylstannyl-1-propene
Allyltri-n-butylstannane
Allyltri-n-butyltin
3-(Tributyltin)-1-propene
Tributyl(2-propenyl)stannane
2-Propenyltributylstannane
(Propen-2-yl)tributyltin
Tri(n-butyl)allylstannane
Identifiers:
SMILES:
[CH2]C=C.[CH2]CCC.[CH2]CCC.[CH2]CCC.[Sn]
InChI:
InChI=1S/3C4H9.C3H5.Sn/c3*1-3-4-2;1-3-2;/h3*1,3-4H2,2H3;3H,1-2H2;
Key Properties
Boiling Point
88-92 °C @ Press: 0.2 Torr
CAS Common Chemistry
Melting Point
134-135 °C
CAS Common Chemistry
Density
1.07 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 | 331.13 g/mol | CAS Common Chemistry |
| 331.13199999999995 g/mol | RDKit | |
| 332.152595724 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.068 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 88-92 °C @ Press: 0.2 Torr | 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 |
| 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 |
| Molar Refractivity | 82.10300000000007 | RDKit |
