bis(dibutyltin(2+));tetrakis(dodecanoate);tin(4+)

C64H128O8Sn3+4 — CID 159339452

IUPACbis(dibutyltin(2+));tetrakis(dodecanoate);tin(4+)
SMILESCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCC[Sn+2]CCCC.CCCC[Sn+2]CCCC.[Sn+4]
InChIInChI=1S/4C12H24O2.4C4H9.3Sn/c4*1-2-3-4-5-6-7-8-9-10-11-12(13)14;4*1-3-4-2;;;/h4*2-11H2,1H3,(H,13,14);4*1,3-4H2,2H3;;;/q;;;;;;;;2*+2;+4/p-4
InChIKeyLFYMXANVAVDAMC-UHFFFAOYSA-J
MW1381.85 g/mol
LogP16.50
Rot. Bonds52

About bis(dibutyltin(2+));tetrakis(dodecanoate);tin(4+)

bis(dibutyltin(2+));tetrakis(dodecanoate);tin(4+) (PubChem CID 159339452) has the molecular formula C64H128O8Sn3+4 and a molecular weight of 1381.85 g/mol. Its IUPAC name is bis(dibutyltin(2+));tetrakis(dodecanoate);tin(4+).

Molecular Properties

Compound Namebis(dibutyltin(2+));tetrakis(dodecanoate);tin(4+)
PubChem CID159339452
Molecular FormulaC64H128O8Sn3+4
Molecular Weight1381.85 g/mol
Exact Mass1384.67
IUPAC Namebis(dibutyltin(2+));tetrakis(dodecanoate);tin(4+)
SMILESCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCC[Sn+2]CCCC.CCCC[Sn+2]CCCC.[Sn+4]
InChIInChI=1S/4C12H24O2.4C4H9.3Sn/c4*1-2-3-4-5-6-7-8-9-10-11-12(13)14;4*1-3-4-2;;;/h4*2-11H2,1H3,(H,13,14);4*1,3-4H2,2H3;;;/q;;;;;;;;2*+2;+4/p-4
InChIKeyLFYMXANVAVDAMC-UHFFFAOYSA-J
XLogP16.50
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds52
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001381.85
LogP ≤ 516.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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dibutyltin(2+);bis(octadec-9-enoate);tin(4+)
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CID 23623890
CID 23623890
octadecanoate
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Frequently Asked Questions

What is the IUPAC name of bis(dibutyltin(2+));tetrakis(dodecanoate);tin(4+)?
The IUPAC name of bis(dibutyltin(2+));tetrakis(dodecanoate);tin(4+) (CID 159339452) is bis(dibutyltin(2+));tetrakis(dodecanoate);tin(4+).
What is the SMILES notation for bis(dibutyltin(2+));tetrakis(dodecanoate);tin(4+)?
The canonical SMILES for bis(dibutyltin(2+));tetrakis(dodecanoate);tin(4+) is CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCC[Sn+2]CCCC.CCCC[Sn+2]CCCC.[Sn+4].
What is the InChIKey of bis(dibutyltin(2+));tetrakis(dodecanoate);tin(4+)?
The InChIKey is LFYMXANVAVDAMC-UHFFFAOYSA-J. The full InChI is InChI=1S/4C12H24O2.4C4H9.3Sn/c4*1-2-3-4-5-6-7-8-9-10-11-12(13)14;4*1-3-4-2;;;/h4*2-11H2,1H3,(H,13,14);4*1,3-4H2,2H3;;;/q;;;;;;;;2*+2;+4/p-4.
What are the key properties of bis(dibutyltin(2+));tetrakis(dodecanoate);tin(4+)?
bis(dibutyltin(2+));tetrakis(dodecanoate);tin(4+) has a molecular weight of 1381.85 g/mol, XLogP of 16.50, 52 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dibutyltin(2+));tetrakis(dodecanoate);tin(4+) is sourced from PubChem (CID 159339452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).