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Molecule
Dioctyltin Dilaurate
CAS: 3648-18-8 · C40H80O4Sn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3648-18-8
- Molecular Formula
- C40H80O4Sn
- Molecular Mass
- 743.79 g/mol
Identifiers
CAS Registry Number
3648-18-8
SMILES
CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].[CH2]CCCCCCC.[CH2]CCCCCCC.[Sn+2]
InChI Key
XQBCVRSTVUHIGH-UHFFFAOYSA-L
InChI
InChI=1S/2C12H24O2.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-3-5-7-8-6-4-2;/h2*2-11H2,1H3,(H,13,14);2*1,3-8H2,2H3;/q;;;;+2/p-2
Names and Synonyms
- Dioctyltin Dilaurate Common Name
- Stannane, dioctylbis[(1-oxododecyl)oxy]- Synonym
- Stannane, bis(lauroyloxy)dioctyl- Synonym
- Dioctyltin dilaurate Synonym
- Tin, bis(lauroyloxy)dioctyl- Synonym
- Lauric acid, dioctylstannylene deriv. Synonym
- Dioctylbis[(1-oxododecyl)oxy]stannane Synonym
- Dioctyldi(lauroyloxy)tin Synonym
- Dioctyltin didodecanoate Synonym
- Di-n-octyltin dilaurate Synonym
- Dioctytin dilaurate Synonym
- OT 1 Synonym
- OT 1 (stabilizer) Synonym
- KS 1200A1 Synonym
- Stann SNT Synonym
- U 810 Synonym
- Neostann U 810 Synonym
- Tegokat 216 Synonym
- ADK Stab OT 1 Synonym
- Dioctyltindilaureate Synonym
- DOTL Synonym
- OL 1 Synonym
- Tin dioctyldilaurate Synonym
- TIB KAT 216 Synonym
- LZ 082 Synonym
- Di-n-ocytyltin dilaurate Synonym
- Acima DOTL 99 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 743.79 g/mol | CAS Common Chemistry |
| 743.7870000000001 g/mol | RDKit | |
| 744.50785574 g/mol | RDKit | |
| 747.818 g/mol | chempirical lib | |
| Density | 1.00 g/cm³ | CAS Common Chemistry |
| 0.998 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=C(O[Sn](OC(=O)CCCCCCCCCCC)(CCCCCCCC)CCCCCCCC)CCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/2C12H24O2.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-3-5-7-8-6-4-2;/h2*2-11H2,1H3,(H,13,14);2*1,3-8H2,2H3;/q;;;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=XQBCVRSTVUHIGH-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | 17-18 °C | CAS Common Chemistry |
| Name | Dioctyltin dilaurate | CAS Common Chemistry |
| Heavy Atom Count | 45 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 30 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 80.25999999999999 Ų | RDKit |
| 80.26 Ų | RDKit | |
| LogP | 11.295579999999992 | RDKit |
| 11.2956 | RDKit | |
| Molar Refractivity | 196.92199999999923 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9 | RDKit |
| 0.95 | chempirical lib | |
| Exact Mass | 743.787 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
20
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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 = 743.79 g/mol; density = 1.000 g/mL. Edit any field — others recompute live.
