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Molecule
Dioctyltin Maleate
CAS: 16091-18-2 · C20H36O4Sn
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 16091-18-2
- Molecular Formula
- C20H36O4Sn
- Molecular Mass
- 459.22 g/mol
Identifiers
CAS Registry Number
16091-18-2
SMILES
O=C([O-])C=CC(=O)[O-].[CH2]CCCCCCC.[CH2]CCCCCCC.[Sn+2]
InChI Key
PZGVVCOOWYSSGB-UHFFFAOYSA-L
InChI
InChI=1S/2C8H17.C4H4O4.Sn/c2*1-3-5-7-8-6-4-2;5-3(6)1-2-4(7)8;/h2*1,3-8H2,2H3;1-2H,(H,5,6)(H,7,8);/q;;;+2/p-2
Names and Synonyms
- Dioctyltin Maleate Synonym
- 1,3,2-Dioxastannepin-4,7-dione, 2,2-dioctyl- Synonym
- Dioctyltin maleate Synonym
- 2,2-Dioctyl-1,3,2-dioxastannepin-4,7-dione Synonym
- Di-n-octyltin maleate Synonym
- Thermolite 813 Synonym
- Estabex U 18 Synonym
- Dioctylstannylene maleate Synonym
- Mellite 825 Synonym
- LIV 1176 Synonym
- Stann OMF Synonym
- TVS 8105 Synonym
- Stann OM Synonym
- TN 801 Synonym
- ADK Stab OT 9 Synonym
- ONR 79F Synonym
- OM 3 Synonym
- NSC 65515 Synonym
- S-Cat 46A Synonym
- LT 195 Synonym
- Di-n-ocytyltin maleate Synonym
- Scat 47 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 459.22 g/mol | CAS Common Chemistry |
| 459.2150000000001 g/mol | RDKit | |
| 460.163554332 g/mol | RDKit | |
| 463.246 g/mol | chempirical lib | |
| Canonical SMILES | O=C1O[Sn](OC(=O)C=C1)(CCCCCCCC)CCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/2C8H17.C4H4O4.Sn/c2*1-3-5-7-8-6-4-2;5-3(6)1-2-4(7)8;/h2*1,3-8H2,2H3;1-2H,(H,5,6)(H,7,8);/q;;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=PZGVVCOOWYSSGB-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | 97 °C | CAS Common Chemistry |
| Name | Dioctyltin maleate | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 80.25999999999999 Ų | RDKit |
| 80.26 Ų | RDKit | |
| LogP | 3.02358 | RDKit |
| 3.0236 | RDKit | |
| Molar Refractivity | 102.37400000000008 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7 | RDKit |
| Exact Mass | 459.215 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
20
0 ppm
| 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 = 459.22 g/mol. Edit any field — others recompute live.
