tributyl-[2-tert-butyl-1-[(4-fluorooxan-4-yl)methyl]imidazol-4-yl]stannane

C25H47FN2OSn — CID 67456837

IUPACtributyl-[2-tert-butyl-1-[(4-fluorooxan-4-yl)methyl]imidazol-4-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cn(CC2(F)CCOCC2)c(C(C)(C)C)n1
InChIInChI=1S/C13H20FN2O.3C4H9.Sn/c1-12(2,3)11-15-6-7-16(11)10-13(14)4-8-17-9-5-13;3*1-3-4-2;/h7H,4-5,8-10H2,1-3H3;3*1,3-4H2,2H3;
InChIKeyZBBBRVIJIIVBBH-UHFFFAOYSA-N
MW529.37 g/mol
LogP6.76
Rot. Bonds12

About tributyl-[2-tert-butyl-1-[(4-fluorooxan-4-yl)methyl]imidazol-4-yl]stannane

tributyl-[2-tert-butyl-1-[(4-fluorooxan-4-yl)methyl]imidazol-4-yl]stannane (PubChem CID 67456837) has the molecular formula C25H47FN2OSn and a molecular weight of 529.37 g/mol. Its IUPAC name is tributyl-[2-tert-butyl-1-[(4-fluorooxan-4-yl)methyl]imidazol-4-yl]stannane.

Molecular Properties

Compound Nametributyl-[2-tert-butyl-1-[(4-fluorooxan-4-yl)methyl]imidazol-4-yl]stannane
PubChem CID67456837
Molecular FormulaC25H47FN2OSn
Molecular Weight529.37 g/mol
Exact Mass530.27
IUPAC Nametributyl-[2-tert-butyl-1-[(4-fluorooxan-4-yl)methyl]imidazol-4-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cn(CC2(F)CCOCC2)c(C(C)(C)C)n1
InChIInChI=1S/C13H20FN2O.3C4H9.Sn/c1-12(2,3)11-15-6-7-16(11)10-13(14)4-8-17-9-5-13;3*1-3-4-2;/h7H,4-5,8-10H2,1-3H3;3*1,3-4H2,2H3;
InChIKeyZBBBRVIJIIVBBH-UHFFFAOYSA-N
XLogP6.76
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.37
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tributyl-[2-tert-butyl-1-[(4-fluorooxan-4-yl)methyl]imidazol-4-yl]stannane?
The IUPAC name of tributyl-[2-tert-butyl-1-[(4-fluorooxan-4-yl)methyl]imidazol-4-yl]stannane (CID 67456837) is tributyl-[2-tert-butyl-1-[(4-fluorooxan-4-yl)methyl]imidazol-4-yl]stannane.
What is the SMILES notation for tributyl-[2-tert-butyl-1-[(4-fluorooxan-4-yl)methyl]imidazol-4-yl]stannane?
The canonical SMILES for tributyl-[2-tert-butyl-1-[(4-fluorooxan-4-yl)methyl]imidazol-4-yl]stannane is CCCC[Sn](CCCC)(CCCC)c1cn(CC2(F)CCOCC2)c(C(C)(C)C)n1.
What is the InChIKey of tributyl-[2-tert-butyl-1-[(4-fluorooxan-4-yl)methyl]imidazol-4-yl]stannane?
The InChIKey is ZBBBRVIJIIVBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN2O.3C4H9.Sn/c1-12(2,3)11-15-6-7-16(11)10-13(14)4-8-17-9-5-13;3*1-3-4-2;/h7H,4-5,8-10H2,1-3H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[2-tert-butyl-1-[(4-fluorooxan-4-yl)methyl]imidazol-4-yl]stannane?
tributyl-[2-tert-butyl-1-[(4-fluorooxan-4-yl)methyl]imidazol-4-yl]stannane has a molecular weight of 529.37 g/mol, XLogP of 6.76, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[2-tert-butyl-1-[(4-fluorooxan-4-yl)methyl]imidazol-4-yl]stannane is sourced from PubChem (CID 67456837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).