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Fenbutatin Oxide
CAS: 13356-08-6 | C60H78OSn2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13356-08-6
Molecular Formula:
C60H78OSn2
Molecular Mass:
1052.71 g/mol
Names and Synonyms:
Fenbutatin Oxide
Distannoxane, 1,1,1,3,3,3-hexakis(2-methyl-2-phenylpropyl)-
Distannoxane, hexakis(β,β-dimethylphenethyl)-
Distannoxane, hexakis(2-methyl-2-phenylpropyl)-
1,1,1,3,3,3-Hexakis(2-methyl-2-phenylpropyl)distannoxane
Trineophyltin oxide
SD 14114
Vendex
Hexakis(2-methyl-2-phenylpropyl)distannoxane
Hexakis(β,β-dimethylphenethyl)distannoxane
Torque (pesticide)
Fenbutatin oxide
Neostanox
Torque
Vendex 4L
Hexakis
Osadan
Vendex 4 Liquid
Bis[tris(2-methyl-2-phenylpropyl)tin] oxide
Partner
Bis[tri(2-phenyl-2-methylpropyl)tin] oxide
Bis[tris(2-phenyl-2-methylpropyl)tin] oxide
Bis[tri(2-methyl-2-phenylpropyl)tin] oxide
1,1,1,3,3,3-Hexakis(2,2-dimethyl-2-phenylethyl)distannoxane
Identifiers:
SMILES:
[CH2]C(C)(C)c1ccccc1.[CH2]C(C)(C)c1ccccc1.[CH2]C(C)(C)c1ccccc1.[CH2]C(C)(C)c1ccccc1.[CH2]C(C)(C)c1ccccc1.[CH2]C(C)(C)c1ccccc1.[O].[Sn].[Sn]
InChI:
InChI=1S/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;
Key Properties
Boiling Point
235-240 °C @ Press: 0.05 Torr
CAS Common Chemistry
Melting Point
138-139 °C
CAS Common Chemistry
Density
0.42 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 | 1052.71 g/mol | CAS Common Chemistry |
| 1052.705 g/mol | RDKit | |
| 1054.409656516 g/mol | RDKit | |
| Density | 0.42 g/cm³ | CAS Common Chemistry |
| 0.42 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 235-240 °C @ Press: 0.05 Torr | CAS Common Chemistry |
| Canonical SMILES | O([Sn](CC(C=1C=CC=CC1)(C)C)(CC(C=2C=CC=CC2)(C)C)CC(C=3C=CC=CC3)(C)C)[Sn](CC(C=4C=CC=CC4)(C)C)(CC(C=5C=CC=CC5)(C)C)CC(C=6C=CC=CC6)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;; | CAS Common Chemistry |
| InChI Key | InChIKey=HOXINJBQVZWYGZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 138-139 °C | CAS Common Chemistry |
| Name | Fenbutatin oxide | CAS Common Chemistry |
| Heavy Atom Count | 63 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 6 | RDKit |
| Topological Polar Surface Area | 28.5 Ų | RDKit |
| LogP | 15.909339999999963 | RDKit |
| Molar Refractivity | 281.14449999999954 | RDKit |
