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Molecule
Tributylmethoxystannane
CAS: 1067-52-3 · C13H30OSn
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1067-52-3
- Molecular Formula
- C13H30OSn
- Molecular Mass
- 321.09299999999996 g/mol
Identifiers
CAS Registry Number
1067-52-3
SMILES
C[O-].[CH2]CCC.[CH2]CCC.[CH2]CCC.[Sn+]
InChI Key
KJGLZJQPMKQFIK-UHFFFAOYSA-N
InChI
InChI=1S/3C4H9.CH3O.Sn/c3*1-3-4-2;1-2;/h3*1,3-4H2,2H3;1H3;/q;;;-1;+1
Names and Synonyms
- Tributylmethoxystannane Synonym
- Stannane, tributylmethoxy- Synonym
- Tin, tributylmethoxy- Synonym
- Tributylmethoxystannane Synonym
- Tributyltin methanolate Synonym
- Tributylmethoxytin Synonym
- Tributyltin methoxide Synonym
- Methoxytributyltin Synonym
- Methoxytributylstannane Synonym
- NSC 202857 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Density | 1.13 g/cm³ | CAS Common Chemistry |
| 1.1294 g/cm3 @ 20 °C | 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 |
| Molecular Mass | 321.09299999999996 g/mol | RDKit |
| 322.13186027999996 g/mol | RDKit | |
| 321.093 g/mol | RDKit | |
| 324.116 g/mol | chempirical lib | |
| 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 |
| 3.4575 | RDKit | |
| Molar Refractivity | 72.47300000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7692 | RDKit |
| Exact Mass | 321.09 g/mol | CAS Common Chemistry |
| Boiling Point | 117 °C @ 2 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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 = 321.09 g/mol; density = 1.130 g/mL. Edit any field — others recompute live.
