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Tributylmethoxystannane
CAS: 1067-52-3 | C13H30OSn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1067-52-3
Molecular Formula:
C13H30OSn
Molecular Mass:
321.09 g/mol
Names and Synonyms:
Tributylmethoxystannane
Stannane, tributylmethoxy-
Tin, tributylmethoxy-
Tributylmethoxystannane
Tributyltin methanolate
Tributylmethoxytin
Tributyltin methoxide
Methoxytributyltin
Methoxytributylstannane
NSC 202857
Identifiers:
SMILES:
C[O-].[CH2]CCC.[CH2]CCC.[CH2]CCC.[Sn+]
InChI:
InChI=1S/3C4H9.CH3O.Sn/c3*1-3-4-2;1-2;/h3*1,3-4H2,2H3;1H3;/q;;;-1;+1
Key Properties
Boiling Point
117 °C @ Press: 2 Torr
CAS Common Chemistry
Melting Point
95-97 °C
CAS Common Chemistry
Density
1.13 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 | 321.09 g/mol | CAS Common Chemistry |
| 321.09299999999996 g/mol | RDKit | |
| 322.13186027999996 g/mol | RDKit | |
| Density | 1.13 g/cm³ | CAS Common Chemistry |
| 1.1294 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 117 °C @ Press: 2 Torr | CAS Common Chemistry |
| Canonical SMILES | O(C)[Sn](CCCC)(CCCC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/3C4H9.CH3O.Sn/c3*1-3-4-2;1-2;/h3*1,3-4H2,2H3;1H3;/q;;;-1;+1 | CAS Common Chemistry |
| InChI Key | InChIKey=KJGLZJQPMKQFIK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 95-97 °C | CAS Common Chemistry |
| Name | Tributylmethoxystannane | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 23.06 Ų | RDKit |
| LogP | 3.4574700000000016 | RDKit |
| Molar Refractivity | 72.47300000000006 | RDKit |
