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Molecule
Triphenyl-2-Propen-1-Ylstannane
CAS: 76-63-1 · C21H20Sn
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 76-63-1
- Molecular Formula
- C21H20Sn
- Molecular Mass
- 391.1020000000001 g/mol
Identifiers
CAS Registry Number
76-63-1
SMILES
[CH2]C=C.[Sn].[c]1ccccc1.[c]1ccccc1.[c]1ccccc1
InChI Key
NDUYAGLANMHJHF-UHFFFAOYSA-N
InChI
InChI=1S/3C6H5.C3H5.Sn/c3*1-2-4-6-5-3-1;1-3-2;/h3*1-5H;3H,1-2H2;
Names and Synonyms
- Triphenyl-2-Propen-1-Ylstannane Common Name
- Stannane, triphenyl-2-propen-1-yl- Synonym
- Stannane, allyltriphenyl- Synonym
- Stannane, triphenyl-2-propenyl- Synonym
- Tin, allyltriphenyl- Synonym
- Triphenyl-2-propen-1-ylstannane Synonym
- Dowco 187 Synonym
- Allyltriphenyltin Synonym
- ENT 50909 Synonym
- Allyltriphenylstannane Synonym
- 3-(Triphenylstannyl)-1-propene Synonym
- NSC 227360 Synonym
- NSC 99168 Synonym
- Triphenyl(2-propenyl)stannane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | C=CC[Sn](C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/3C6H5.C3H5.Sn/c3*1-2-4-6-5-3-1;1-3-2;/h3*1-5H;3H,1-2H2; | CAS Common Chemistry |
| InChI Key | InChIKey=NDUYAGLANMHJHF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 71-73 °C | CAS Common Chemistry |
| Name | Triphenyl-2-propen-1-ylstannane | CAS Common Chemistry |
| Molecular Mass | 391.1020000000001 g/mol | RDKit |
| 392.05869534 g/mol | RDKit | |
| 391.102 g/mol | RDKit | |
| 396.141 g/mol | chempirical lib | |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 5.086060000000004 | RDKit |
| 5.0861 | RDKit | |
| 4.99 | chempirical lib | |
| Molar Refractivity | 97.14200000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 391.10 g/mol | CAS Common Chemistry |
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
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| 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.
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MW = 391.10 g/mol. Edit any field — others recompute live.
