tributyl-(4-chlorophenyl)stannane

C18H31ClSn — CID 11112179

IUPACtributyl-(4-chlorophenyl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(Cl)cc1
InChIInChI=1S/C6H4Cl.3C4H9.Sn/c7-6-4-2-1-3-5-6;3*1-3-4-2;/h2-5H;3*1,3-4H2,2H3;
InChIKeyGZJNLVYEAQGOSJ-UHFFFAOYSA-N
MW401.61 g/mol
LogP6.40
Rot. Bonds10

About tributyl-(4-chlorophenyl)stannane

tributyl-(4-chlorophenyl)stannane (PubChem CID 11112179) has the molecular formula C18H31ClSn and a molecular weight of 401.61 g/mol. Its IUPAC name is tributyl-(4-chlorophenyl)stannane.

Molecular Properties

Compound Nametributyl-(4-chlorophenyl)stannane
PubChem CID11112179
Molecular FormulaC18H31ClSn
Molecular Weight401.61 g/mol
Exact Mass402.11
IUPAC Nametributyl-(4-chlorophenyl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(Cl)cc1
InChIInChI=1S/C6H4Cl.3C4H9.Sn/c7-6-4-2-1-3-5-6;3*1-3-4-2;/h2-5H;3*1,3-4H2,2H3;
InChIKeyGZJNLVYEAQGOSJ-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.61
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tributyl-(4-chlorophenyl)stannane?
The IUPAC name of tributyl-(4-chlorophenyl)stannane (CID 11112179) is tributyl-(4-chlorophenyl)stannane.
What is the SMILES notation for tributyl-(4-chlorophenyl)stannane?
The canonical SMILES for tributyl-(4-chlorophenyl)stannane is CCCC[Sn](CCCC)(CCCC)c1ccc(Cl)cc1.
What is the InChIKey of tributyl-(4-chlorophenyl)stannane?
The InChIKey is GZJNLVYEAQGOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl.3C4H9.Sn/c7-6-4-2-1-3-5-6;3*1-3-4-2;/h2-5H;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(4-chlorophenyl)stannane?
tributyl-(4-chlorophenyl)stannane has a molecular weight of 401.61 g/mol, XLogP of 6.40, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(4-chlorophenyl)stannane is sourced from PubChem (CID 11112179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).