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

C80H160O8Sn2 — CID 160899989

IUPACbis(dioctyltin(2+));tetrakis(dodecanoate)
SMILESCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCC[Sn+2]CCCCCCCC.CCCCCCCC[Sn+2]CCCCCCCC
InChIInChI=1S/4C12H24O2.4C8H17.2Sn/c4*1-2-3-4-5-6-7-8-9-10-11-12(13)14;4*1-3-5-7-8-6-4-2;;/h4*2-11H2,1H3,(H,13,14);4*1,3-8H2,2H3;;/q;;;;;;;;2*+2/p-4
InChIKeySPJKZDUBIJCYQG-UHFFFAOYSA-J
MW1487.57 g/mol
LogP23.13
Rot. Bonds68

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

bis(dioctyltin(2+));tetrakis(dodecanoate) (PubChem CID 160899989) has the molecular formula C80H160O8Sn2 and a molecular weight of 1487.57 g/mol. Its IUPAC name is bis(dioctyltin(2+));tetrakis(dodecanoate).

Molecular Properties

Compound Namebis(dioctyltin(2+));tetrakis(dodecanoate)
PubChem CID160899989
Molecular FormulaC80H160O8Sn2
Molecular Weight1487.57 g/mol
Exact Mass1489.02
IUPAC Namebis(dioctyltin(2+));tetrakis(dodecanoate)
SMILESCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCC[Sn+2]CCCCCCCC.CCCCCCCC[Sn+2]CCCCCCCC
InChIInChI=1S/4C12H24O2.4C8H17.2Sn/c4*1-2-3-4-5-6-7-8-9-10-11-12(13)14;4*1-3-5-7-8-6-4-2;;/h4*2-11H2,1H3,(H,13,14);4*1,3-8H2,2H3;;/q;;;;;;;;2*+2/p-4
InChIKeySPJKZDUBIJCYQG-UHFFFAOYSA-J
XLogP23.13
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds68
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001487.57
LogP ≤ 523.13
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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bis(dibutyltin(2+));bis(dodecanoate);bis(octanoate)
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bis(dibutyltin(2+));tetrakis(dodecanoate);tin(4+)
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CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
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Frequently Asked Questions

What is the IUPAC name of bis(dioctyltin(2+));tetrakis(dodecanoate)?
The IUPAC name of bis(dioctyltin(2+));tetrakis(dodecanoate) (CID 160899989) is bis(dioctyltin(2+));tetrakis(dodecanoate).
What is the SMILES notation for bis(dioctyltin(2+));tetrakis(dodecanoate)?
The canonical SMILES for bis(dioctyltin(2+));tetrakis(dodecanoate) is CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCC[Sn+2]CCCCCCCC.CCCCCCCC[Sn+2]CCCCCCCC.
What is the InChIKey of bis(dioctyltin(2+));tetrakis(dodecanoate)?
The InChIKey is SPJKZDUBIJCYQG-UHFFFAOYSA-J. The full InChI is InChI=1S/4C12H24O2.4C8H17.2Sn/c4*1-2-3-4-5-6-7-8-9-10-11-12(13)14;4*1-3-5-7-8-6-4-2;;/h4*2-11H2,1H3,(H,13,14);4*1,3-8H2,2H3;;/q;;;;;;;;2*+2/p-4.
What are the key properties of bis(dioctyltin(2+));tetrakis(dodecanoate)?
bis(dioctyltin(2+));tetrakis(dodecanoate) has a molecular weight of 1487.57 g/mol, XLogP of 23.13, 68 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dioctyltin(2+));tetrakis(dodecanoate) is sourced from PubChem (CID 160899989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).