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Molecule
Dioctyltin Oxide
CAS: 870-08-6 · C16H34OSn
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 870-08-6
- Molecular Formula
- C16H34OSn
- Molecular Mass
- 361.16 g/mol
Identifiers
CAS Registry Number
870-08-6
SMILES
[CH2]CCCCCCC.[CH2]CCCCCCC.[O].[Sn]
InChI Key
LQRUPWUPINJLMU-UHFFFAOYSA-N
InChI
InChI=1S/2C8H17.O.Sn/c2*1-3-5-7-8-6-4-2;;/h2*1,3-8H2,2H3;;
Names and Synonyms
- Dioctyltin Oxide Common Name
- Stannane, dioctyloxo- Synonym
- Dioctyltin oxide Synonym
- Tin, dioctyloxo- Synonym
- Dioctyloxostannane Synonym
- Di-n-octyltin oxide Synonym
- Stann OO Synonym
- Irgastab T 161 Synonym
- U 800 Synonym
- U 800 (heat stabilizer) Synonym
- NSC 140743 Synonym
- Dioctyloxotin Synonym
- Neostann U 800P Synonym
- DOTO Synonym
- DOTO (dioctyltin oxide) Synonym
- Stann DOTO Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 361.16 g/mol | CAS Common Chemistry |
| 362.163160408 g/mol | RDKit | |
| 361.158 g/mol | RDKit | |
| 365.189 g/mol | chempirical lib | |
| 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 |
| 5.8624 | RDKit | |
| Molar Refractivity | 83.90650000000008 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.875 | RDKit |
| Exact Mass | 361.1579999999999 g/mol | RDKit |
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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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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Quick conversion
MW = 361.16 g/mol; density = 1.300 g/mL. Edit any field — others recompute live.
