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Dioctyltin Oxide
CAS: 870-08-6 | C16H34OSn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
870-08-6
Molecular Formula:
C16H34OSn
Molecular Mass:
361.16 g/mol
Names and Synonyms:
Dioctyltin Oxide
Stannane, dioctyloxo-
Dioctyltin oxide
Tin, dioctyloxo-
Dioctyloxostannane
Di-n-octyltin oxide
Stann OO
Irgastab T 161
U 800
U 800 (heat stabilizer)
NSC 140743
Dioctyloxotin
Neostann U 800P
DOTO
DOTO (dioctyltin oxide)
Stann DOTO
Identifiers:
SMILES:
[CH2]CCCCCCC.[CH2]CCCCCCC.[O].[Sn]
InChI:
InChI=1S/2C8H17.O.Sn/c2*1-3-5-7-8-6-4-2;;/h2*1,3-8H2,2H3;;
Key Properties
Melting Point
245-248 °C (decomp)
CAS Common Chemistry
Density
1.30 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 | 361.16 g/mol | CAS Common Chemistry |
| 361.1579999999999 g/mol | RDKit | |
| 362.163160408 g/mol | RDKit | |
| Density | 1.30 g/cm³ | CAS Common Chemistry |
| 1.3 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=[Sn](CCCCCCCC)CCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/2C8H17.O.Sn/c2*1-3-5-7-8-6-4-2;;/h2*1,3-8H2,2H3;; | CAS Common Chemistry |
| InChI Key | InChIKey=LQRUPWUPINJLMU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 245-248 °C (decomp) | CAS Common Chemistry |
| Name | Dioctyltin oxide | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 28.5 Ų | RDKit |
| LogP | 5.862380000000006 | RDKit |
| Molar Refractivity | 83.90650000000008 | RDKit |
