dibutyltin(2+);pentakis(dodecanoate);sulfanide;tin(4+)

C68H134O10SSn2 — CID 161266983

IUPACdibutyltin(2+);pentakis(dodecanoate);sulfanide;tin(4+)
SMILESCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCC[Sn+2]CCCC.[SH-].[Sn+4]
InChIInChI=1S/5C12H24O2.2C4H9.H2S.2Sn/c5*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-3-4-2;;;/h5*2-11H2,1H3,(H,13,14);2*1,3-4H2,2H3;1H2;;/q;;;;;;;;+2;+4/p-6
InChIKeyVDHUYCCCYAYPJS-UHFFFAOYSA-H
MW1381.30 g/mol
LogP15.76
Rot. Bonds56

About dibutyltin(2+);pentakis(dodecanoate);sulfanide;tin(4+)

dibutyltin(2+);pentakis(dodecanoate);sulfanide;tin(4+) (PubChem CID 161266983) has the molecular formula C68H134O10SSn2 and a molecular weight of 1381.30 g/mol. Its IUPAC name is dibutyltin(2+);pentakis(dodecanoate);sulfanide;tin(4+).

Molecular Properties

Compound Namedibutyltin(2+);pentakis(dodecanoate);sulfanide;tin(4+)
PubChem CID161266983
Molecular FormulaC68H134O10SSn2
Molecular Weight1381.30 g/mol
Exact Mass1382.77
IUPAC Namedibutyltin(2+);pentakis(dodecanoate);sulfanide;tin(4+)
SMILESCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCC[Sn+2]CCCC.[SH-].[Sn+4]
InChIInChI=1S/5C12H24O2.2C4H9.H2S.2Sn/c5*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-3-4-2;;;/h5*2-11H2,1H3,(H,13,14);2*1,3-4H2,2H3;1H2;;/q;;;;;;;;+2;+4/p-6
InChIKeyVDHUYCCCYAYPJS-UHFFFAOYSA-H
XLogP15.76
TPSA200.65 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds56
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001381.30
LogP ≤ 515.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

bis(dibutyltin(2+));tetrakis(dodecanoate);tin(4+)
CID 159339452
dibutyltin(2+);bis(octadecanoate);tin(4+)
CID 159975771
bis(dibutyltin(2+));bis(dodecanoate);bis(octanoate)
CID 160581451
dibutyltin(2+);dioctyltin(2+);bis(dodecanoate);diacetate
CID 162006302
bis(dioctyltin(2+));tetrakis(dodecanoate)
CID 160899989
dioctyltin(2+);bis(dodecanoate);hydroxysilane
CID 161145382
dibutyltin(2+);bis(octadec-9-enoate);tin(4+)
CID 159281027
dibutyltin(2+);N,N-diethylethanamine;bis(dodecanoate)
CID 159466331
bis(octadecanoate);platinum(2+)
CID 87233709
CID 23623890
CID 23623890
octadecanoate
CID 3033836
calcium;hexadecanoate;octadecanoate
CID 22065418

Frequently Asked Questions

What is the IUPAC name of dibutyltin(2+);pentakis(dodecanoate);sulfanide;tin(4+)?
The IUPAC name of dibutyltin(2+);pentakis(dodecanoate);sulfanide;tin(4+) (CID 161266983) is dibutyltin(2+);pentakis(dodecanoate);sulfanide;tin(4+).
What is the SMILES notation for dibutyltin(2+);pentakis(dodecanoate);sulfanide;tin(4+)?
The canonical SMILES for dibutyltin(2+);pentakis(dodecanoate);sulfanide;tin(4+) is CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCC[Sn+2]CCCC.[SH-].[Sn+4].
What is the InChIKey of dibutyltin(2+);pentakis(dodecanoate);sulfanide;tin(4+)?
The InChIKey is VDHUYCCCYAYPJS-UHFFFAOYSA-H. The full InChI is InChI=1S/5C12H24O2.2C4H9.H2S.2Sn/c5*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-3-4-2;;;/h5*2-11H2,1H3,(H,13,14);2*1,3-4H2,2H3;1H2;;/q;;;;;;;;+2;+4/p-6.
What are the key properties of dibutyltin(2+);pentakis(dodecanoate);sulfanide;tin(4+)?
dibutyltin(2+);pentakis(dodecanoate);sulfanide;tin(4+) has a molecular weight of 1381.30 g/mol, XLogP of 15.76, 56 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyltin(2+);pentakis(dodecanoate);sulfanide;tin(4+) is sourced from PubChem (CID 161266983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).