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Molecule
1,1,1,3,3,3-Hexaphenyldistannoxane
CAS: 1262-21-1 · C36H30OSn2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1262-21-1
- Molecular Formula
- C36H30OSn2
- Molecular Mass
- 716.06 g/mol
Identifiers
CAS Registry Number
1262-21-1
SMILES
[O].[Sn].[Sn].[c]1ccccc1.[c]1ccccc1.[c]1ccccc1.[c]1ccccc1.[c]1ccccc1.[c]1ccccc1
InChI Key
MUHFQLVFMFDJOK-UHFFFAOYSA-N
InChI
InChI=1S/6C6H5.O.2Sn/c6*1-2-4-6-5-3-1;;;/h6*1-5H;;;
Names and Synonyms
- 1,1,1,3,3,3-Hexaphenyldistannoxane Systematic Name
- Distannoxane, 1,1,1,3,3,3-hexaphenyl- Synonym
- Distannoxane, hexaphenyl- Synonym
- Bis(triphenyltin) oxide Synonym
- Tin, oxybis[triphenyl- Synonym
- 1,1,1,3,3,3-Hexaphenyldistannoxane Synonym
- Triphenyltin oxide Synonym
- Hexaphenyldistannoxane Synonym
- Oxobis(triphenyltin) Synonym
- Bis(triphenylstannyl) oxide Synonym
- Oxobis(triphenylstannane) Synonym
- Bis(triphenylstannyl) ether Synonym
- NSC 113258 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 716.06 g/mol | CAS Common Chemistry |
| 716.0570000000002 g/mol | RDKit | |
| 718.0340549800001 g/mol | RDKit | |
| 728.151 g/mol | chempirical lib | |
| Canonical SMILES | O([Sn](C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3)[Sn](C=4C=CC=CC4)(C=5C=CC=CC5)C=6C=CC=CC6 | CAS Common Chemistry |
| InChI | InChI=1S/6C6H5.O.2Sn/c6*1-2-4-6-5-3-1;;;/h6*1-5H;;; | CAS Common Chemistry |
| InChI Key | InChIKey=MUHFQLVFMFDJOK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 123-124 °C | CAS Common Chemistry |
| Name | 1,1,1,3,3,3-Hexaphenyldistannoxane | CAS Common Chemistry |
| Heavy Atom Count | 39 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 6 | RDKit |
| Topological Polar Surface Area | 28.5 Ų | RDKit |
| LogP | 8.040340000000008 | RDKit |
| 8.0403 | RDKit | |
| 8.07 | chempirical lib | |
| Molar Refractivity | 163.86249999999956 cm³/mol | RDKit |
| Ring Count | 6 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 716.057 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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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.
External Resources
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MW = 716.06 g/mol. Edit any field — others recompute live.
