dibutyltin(2+);bis(3,3-difluoro-1-hydroxycyclobutane-1-carboxylate)

C18H28F4O6Sn — CID 67132431

IUPACdibutyltin(2+);bis(3,3-difluoro-1-hydroxycyclobutane-1-carboxylate)
SMILESCCCC[Sn+2]CCCC.O=C([O-])C1(O)CC(F)(F)C1.O=C([O-])C1(O)CC(F)(F)C1
InChIInChI=1S/2C5H6F2O3.2C4H9.Sn/c2*6-5(7)1-4(10,2-5)3(8)9;2*1-3-4-2;/h2*10H,1-2H2,(H,8,9);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeyVSXFNBHPLZUCEH-UHFFFAOYSA-L
MW535.12 g/mol
LogP0.92
Rot. Bonds8

About dibutyltin(2+);bis(3,3-difluoro-1-hydroxycyclobutane-1-carboxylate)

dibutyltin(2+);bis(3,3-difluoro-1-hydroxycyclobutane-1-carboxylate) (PubChem CID 67132431) has the molecular formula C18H28F4O6Sn and a molecular weight of 535.12 g/mol. Its IUPAC name is dibutyltin(2+);bis(3,3-difluoro-1-hydroxycyclobutane-1-carboxylate).

Molecular Properties

Compound Namedibutyltin(2+);bis(3,3-difluoro-1-hydroxycyclobutane-1-carboxylate)
PubChem CID67132431
Molecular FormulaC18H28F4O6Sn
Molecular Weight535.12 g/mol
Exact Mass536.08
IUPAC Namedibutyltin(2+);bis(3,3-difluoro-1-hydroxycyclobutane-1-carboxylate)
SMILESCCCC[Sn+2]CCCC.O=C([O-])C1(O)CC(F)(F)C1.O=C([O-])C1(O)CC(F)(F)C1
InChIInChI=1S/2C5H6F2O3.2C4H9.Sn/c2*6-5(7)1-4(10,2-5)3(8)9;2*1-3-4-2;/h2*10H,1-2H2,(H,8,9);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeyVSXFNBHPLZUCEH-UHFFFAOYSA-L
XLogP0.92
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.12
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

dibutyltin(2+);bis(1-hydroxy-2-methylcyclopropane-1-carboxylate)
CID 67132880
dibutyltin(2+);bis(2-sulfanylpropanoate)
CID 53471901
dibutyltin(2+);bis(3-oxobutanoate)
CID 22571283
bis(dibutyltin(2+));bis(dodecanoate);bis(octanoate)
CID 160581451
(Z)-but-2-enedioate;dibutyltin(2+);3,4-dimethylhexane
CID 87234005
dibutyltin(2+);pentakis(dodecanoate);sulfanide;tin(4+)
CID 161266983
bis(dibutyltin(2+));tetrakis(dodecanoate);tin(4+)
CID 159339452
dibutyltin(2+);bis(octadecanoate);tin(4+)
CID 159975771
dibutyltin(2+);bis(2-(ethenoxymethyl)-1-hydroxycyclopropane-1-carboxylate)
CID 67132676
dibutyltin(2+);N,N-diethylethanamine;bis(dodecanoate)
CID 159466331
dibutyltin(2+);dioctyltin(2+);bis(dodecanoate);diacetate
CID 162006302
zinc;dibutyltin(2+);(Z)-4-oxopent-2-en-2-olate
CID 19794979

Frequently Asked Questions

What is the IUPAC name of dibutyltin(2+);bis(3,3-difluoro-1-hydroxycyclobutane-1-carboxylate)?
The IUPAC name of dibutyltin(2+);bis(3,3-difluoro-1-hydroxycyclobutane-1-carboxylate) (CID 67132431) is dibutyltin(2+);bis(3,3-difluoro-1-hydroxycyclobutane-1-carboxylate).
What is the SMILES notation for dibutyltin(2+);bis(3,3-difluoro-1-hydroxycyclobutane-1-carboxylate)?
The canonical SMILES for dibutyltin(2+);bis(3,3-difluoro-1-hydroxycyclobutane-1-carboxylate) is CCCC[Sn+2]CCCC.O=C([O-])C1(O)CC(F)(F)C1.O=C([O-])C1(O)CC(F)(F)C1.
What is the InChIKey of dibutyltin(2+);bis(3,3-difluoro-1-hydroxycyclobutane-1-carboxylate)?
The InChIKey is VSXFNBHPLZUCEH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H6F2O3.2C4H9.Sn/c2*6-5(7)1-4(10,2-5)3(8)9;2*1-3-4-2;/h2*10H,1-2H2,(H,8,9);2*1,3-4H2,2H3;/q;;;;+2/p-2.
What are the key properties of dibutyltin(2+);bis(3,3-difluoro-1-hydroxycyclobutane-1-carboxylate)?
dibutyltin(2+);bis(3,3-difluoro-1-hydroxycyclobutane-1-carboxylate) has a molecular weight of 535.12 g/mol, XLogP of 0.92, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyltin(2+);bis(3,3-difluoro-1-hydroxycyclobutane-1-carboxylate) is sourced from PubChem (CID 67132431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).