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Molecule
Tetraoctylstannane
CAS: 3590-84-9 · C32H68Sn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3590-84-9
- Molecular Formula
- C32H68Sn
- Molecular Mass
- 571.61 g/mol
Identifiers
CAS Registry Number
3590-84-9
SMILES
[CH2]CCCCCCC.[CH2]CCCCCCC.[CH2]CCCCCCC.[CH2]CCCCCCC.[Sn]
InChI Key
JTGNPNLBCGBCMP-UHFFFAOYSA-N
InChI
InChI=1S/4C8H17.Sn/c4*1-3-5-7-8-6-4-2;/h4*1,3-8H2,2H3;
Names and Synonyms
- Tetraoctylstannane Common Name
- Stannane, tetraoctyl- Synonym
- Tin, tetraoctyl- Synonym
- Tetraoctylstannane Synonym
- Tetraoctyltin Synonym
- Tetra-n-octyltin Synonym
- Tetra-n-octylstannane Synonym
- NSC 65527 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 571.61 g/mol | CAS Common Chemistry |
| 571.6070000000004 g/mol | RDKit | |
| 572.434296876 g/mol | RDKit | |
| 573.622 g/mol | chempirical lib | |
| Density | 0.96 g/cm³ | CAS Common Chemistry |
| 0.961 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | CCCCCCCC[Sn](CCCCCCCC)(CCCCCCCC)CCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/4C8H17.Sn/c4*1-3-5-7-8-6-4-2;/h4*1,3-8H2,2H3; | CAS Common Chemistry |
| InChI Key | InChIKey=JTGNPNLBCGBCMP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Tetraoctylstannane | CAS Common Chemistry |
| Heavy Atom Count | 33 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 20 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 12.343159999999981 | RDKit |
| 12.3432 | RDKit | |
| 13.22 | chempirical lib | |
| Molar Refractivity | 160.68599999999972 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.875 | RDKit |
| Exact Mass | 571.607 g/mol | RDKit |
| Boiling Point | 224 °C @ 1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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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Quick conversion
MW = 571.61 g/mol; density = 0.960 g/mL. Edit any field — others recompute live.
