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(Oc-6-11)-Dibutylbis(2,4-Pentanedionato-Κo2,Κo4)Tin
CAS: 22673-19-4 | C18H32O4Sn
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
22673-19-4
Molecular Formula:
C18H32O4Sn
Molecular Mass:
431.16 g/mol
Names and Synonyms:
(Oc-6-11)-Dibutylbis(2,4-Pentanedionato-Κo2,Κo4)Tin
Tin, dibutylbis(2,4-pentanedionato-κO2,κO4)-, (OC-6-11)-
Tin, dibutylbis(2,4-pentanedionato)-
Tin, dibutylbis(2,4-pentanedionato-O,O′)-, (OC-6-11)-
Tin, bis(2,4-pentanedionato)dibutyl-
Tin, dibutylbis(2,4-pentanedionato-κO,κO′)-, (OC-6-11)-
(OC-6-11)-Dibutylbis(2,4-pentanedionato-κO2,κO4)tin
Dibutyltin bis(acetylacetonate)
Dibutylbis(2,4-pentanedionato)tin
Neostann U 220
U 220
Nacem Tin
Dibutylbis(2,4-pentadionate)tin
Tegokat 226
Metatin 740
K-KAT 8201
Identifiers:
SMILES:
CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.[CH2-]CCC.[CH2-]CCC.[Sn+4]
InChI:
InChI=1S/2C5H7O2.2C4H9.Sn/c2*1-4(6)3-5(2)7;2*1-3-4-2;/h2*3H,1-2H3;2*1,3-4H2,2H3;/q4*-1;+4
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 | 431.16 g/mol | CAS Common Chemistry |
| 431.1610000000001 g/mol | RDKit | |
| 432.132254204 g/mol | RDKit | |
| Canonical SMILES | O1=C([CH-]C(=O[Sn+4]12(O=C([CH-]C(=O2)C)C)([CH2-]CCC)[CH2-]CCC)C)C | CAS Common Chemistry |
| InChI | InChI=1S/2C5H7O2.2C4H9.Sn/c2*1-4(6)3-5(2)7;2*1-3-4-2;/h2*3H,1-2H3;2*1,3-4H2,2H3;/q4*-1;+4 | CAS Common Chemistry |
| InChI Key | InChIKey=MSTKDWKEUHEQSO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (OC-6-11)-Dibutylbis(2,4-pentanedionato-κO2,κO4)tin | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 68.28 Ų | RDKit |
| LogP | 3.5977600000000027 | RDKit |
| Molar Refractivity | 97.60800000000006 | RDKit |
