dioctyltin(2+);bis(dodecanoate);hydroxysilane

C40H84O5SiSn — CID 161145382

IUPACdioctyltin(2+);bis(dodecanoate);hydroxysilane
SMILESCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCC[Sn+2]CCCCCCCC.O[SiH3]
InChIInChI=1S/2C12H24O2.2C8H17.H4OSi.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;1-2;/h2*2-11H2,1H3,(H,13,14);2*1,3-8H2,2H3;1H,2H3;/q;;;;;+2/p-2
InChIKeyUNZDFKRKNAVRBW-UHFFFAOYSA-L
MW791.90 g/mol
LogP9.82
Rot. Bonds34

About dioctyltin(2+);bis(dodecanoate);hydroxysilane

dioctyltin(2+);bis(dodecanoate);hydroxysilane (PubChem CID 161145382) has the molecular formula C40H84O5SiSn and a molecular weight of 791.90 g/mol. Its IUPAC name is dioctyltin(2+);bis(dodecanoate);hydroxysilane.

Molecular Properties

Compound Namedioctyltin(2+);bis(dodecanoate);hydroxysilane
PubChem CID161145382
Molecular FormulaC40H84O5SiSn
Molecular Weight791.90 g/mol
Exact Mass792.51
IUPAC Namedioctyltin(2+);bis(dodecanoate);hydroxysilane
SMILESCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCC[Sn+2]CCCCCCCC.O[SiH3]
InChIInChI=1S/2C12H24O2.2C8H17.H4OSi.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;1-2;/h2*2-11H2,1H3,(H,13,14);2*1,3-8H2,2H3;1H,2H3;/q;;;;;+2/p-2
InChIKeyUNZDFKRKNAVRBW-UHFFFAOYSA-L
XLogP9.82
TPSA100.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds34
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.90
LogP ≤ 59.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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bis(dibutyltin(2+));tetrakis(dodecanoate);tin(4+)
CID 159339452
dibutyltin(2+);bis(octadecanoate);tin(4+)
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dibutyltin(2+);pentakis(dodecanoate);sulfanide;tin(4+)
CID 161266983
dibutyltin(2+);N,N-diethylethanamine;bis(dodecanoate)
CID 159466331
CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
hexadecanoate;tetramethylazanium
CID 14251637
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Frequently Asked Questions

What is the IUPAC name of dioctyltin(2+);bis(dodecanoate);hydroxysilane?
The IUPAC name of dioctyltin(2+);bis(dodecanoate);hydroxysilane (CID 161145382) is dioctyltin(2+);bis(dodecanoate);hydroxysilane.
What is the SMILES notation for dioctyltin(2+);bis(dodecanoate);hydroxysilane?
The canonical SMILES for dioctyltin(2+);bis(dodecanoate);hydroxysilane is CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCC[Sn+2]CCCCCCCC.O[SiH3].
What is the InChIKey of dioctyltin(2+);bis(dodecanoate);hydroxysilane?
The InChIKey is UNZDFKRKNAVRBW-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H24O2.2C8H17.H4OSi.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;1-2;/h2*2-11H2,1H3,(H,13,14);2*1,3-8H2,2H3;1H,2H3;/q;;;;;+2/p-2.
What are the key properties of dioctyltin(2+);bis(dodecanoate);hydroxysilane?
dioctyltin(2+);bis(dodecanoate);hydroxysilane has a molecular weight of 791.90 g/mol, XLogP of 9.82, 34 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dioctyltin(2+);bis(dodecanoate);hydroxysilane is sourced from PubChem (CID 161145382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).