dibutyltin(2+);bis(octadecanoate);tin(4+)

C44H88O4Sn2+4 — CID 159975771

IUPACdibutyltin(2+);bis(octadecanoate);tin(4+)
SMILESCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCC[Sn+2]CCCC.[Sn+4]
InChIInChI=1S/2C18H36O2.2C4H9.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*1-3-4-2;;/h2*2-17H2,1H3,(H,19,20);2*1,3-4H2,2H3;;/q;;;;+2;+4/p-2
InChIKeyOFDFGMICJOIKDA-UHFFFAOYSA-L
MW918.61 g/mol
LogP12.74
Rot. Bonds38

About dibutyltin(2+);bis(octadecanoate);tin(4+)

dibutyltin(2+);bis(octadecanoate);tin(4+) (PubChem CID 159975771) has the molecular formula C44H88O4Sn2+4 and a molecular weight of 918.61 g/mol. Its IUPAC name is dibutyltin(2+);bis(octadecanoate);tin(4+).

Molecular Properties

Compound Namedibutyltin(2+);bis(octadecanoate);tin(4+)
PubChem CID159975771
Molecular FormulaC44H88O4Sn2+4
Molecular Weight918.61 g/mol
Exact Mass920.47
IUPAC Namedibutyltin(2+);bis(octadecanoate);tin(4+)
SMILESCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCC[Sn+2]CCCC.[Sn+4]
InChIInChI=1S/2C18H36O2.2C4H9.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*1-3-4-2;;/h2*2-17H2,1H3,(H,19,20);2*1,3-4H2,2H3;;/q;;;;+2;+4/p-2
InChIKeyOFDFGMICJOIKDA-UHFFFAOYSA-L
XLogP12.74
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds38
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500918.61
LogP ≤ 512.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(dibutyltin(2+));tetrakis(dodecanoate);tin(4+)
CID 159339452
dibutyltin(2+);pentakis(dodecanoate);sulfanide;tin(4+)
CID 161266983
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+);bis(octadecanoate);tin(4+)?
The IUPAC name of dibutyltin(2+);bis(octadecanoate);tin(4+) (CID 159975771) is dibutyltin(2+);bis(octadecanoate);tin(4+).
What is the SMILES notation for dibutyltin(2+);bis(octadecanoate);tin(4+)?
The canonical SMILES for dibutyltin(2+);bis(octadecanoate);tin(4+) is CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCC[Sn+2]CCCC.[Sn+4].
What is the InChIKey of dibutyltin(2+);bis(octadecanoate);tin(4+)?
The InChIKey is OFDFGMICJOIKDA-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H36O2.2C4H9.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*1-3-4-2;;/h2*2-17H2,1H3,(H,19,20);2*1,3-4H2,2H3;;/q;;;;+2;+4/p-2.
What are the key properties of dibutyltin(2+);bis(octadecanoate);tin(4+)?
dibutyltin(2+);bis(octadecanoate);tin(4+) has a molecular weight of 918.61 g/mol, XLogP of 12.74, 38 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyltin(2+);bis(octadecanoate);tin(4+) is sourced from PubChem (CID 159975771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).