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Dioctyltin Maleate
CAS: 16091-18-2 | C20H36O4Sn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
16091-18-2
Molecular Formula:
C20H36O4Sn
Molecular Mass:
459.22 g/mol
Names and Synonyms:
Dioctyltin Maleate
1,3,2-Dioxastannepin-4,7-dione, 2,2-dioctyl-
Dioctyltin maleate
2,2-Dioctyl-1,3,2-dioxastannepin-4,7-dione
Di-n-octyltin maleate
Thermolite 813
Estabex U 18
Dioctylstannylene maleate
Mellite 825
LIV 1176
Stann OMF
TVS 8105
Stann OM
TN 801
ADK Stab OT 9
ONR 79F
OM 3
NSC 65515
S-Cat 46A
LT 195
Di-n-ocytyltin maleate
Scat 47
Identifiers:
SMILES:
O=C([O-])C=CC(=O)[O-].[CH2]CCCCCCC.[CH2]CCCCCCC.[Sn+2]
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
Key Properties
Melting Point
97 °C
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 | 459.22 g/mol | CAS Common Chemistry |
| 459.2150000000001 g/mol | RDKit | |
| 460.163554332 g/mol | RDKit | |
| 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 |
| LogP | 3.02358 | RDKit |
| Molar Refractivity | 102.37400000000008 | RDKit |
