tributyl(quinolin-8-yloxy)stannane

C21H33NOSn — CID 16683764

IUPACtributyl(quinolin-8-yloxy)stannane
SMILESCCCC[Sn](CCCC)(CCCC)Oc1cccc2cccnc12
InChIInChI=1S/C9H7NO.3C4H9.Sn/c11-8-5-1-3-7-4-2-6-10-9(7)8;3*1-3-4-2;/h1-6,11H;3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyDJKDNXSBSRRGIU-UHFFFAOYSA-M
MW434.21 g/mol
LogP6.96
Rot. Bonds11

About tributyl(quinolin-8-yloxy)stannane

tributyl(quinolin-8-yloxy)stannane (PubChem CID 16683764) has the molecular formula C21H33NOSn and a molecular weight of 434.21 g/mol. Its IUPAC name is tributyl(quinolin-8-yloxy)stannane.

Molecular Properties

Compound Nametributyl(quinolin-8-yloxy)stannane
PubChem CID16683764
Molecular FormulaC21H33NOSn
Molecular Weight434.21 g/mol
Exact Mass435.16
IUPAC Nametributyl(quinolin-8-yloxy)stannane
SMILESCCCC[Sn](CCCC)(CCCC)Oc1cccc2cccnc12
InChIInChI=1S/C9H7NO.3C4H9.Sn/c11-8-5-1-3-7-4-2-6-10-9(7)8;3*1-3-4-2;/h1-6,11H;3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyDJKDNXSBSRRGIU-UHFFFAOYSA-M
XLogP6.96
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.21
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tributyl(quinolin-8-yloxy)stannane?
The IUPAC name of tributyl(quinolin-8-yloxy)stannane (CID 16683764) is tributyl(quinolin-8-yloxy)stannane.
What is the SMILES notation for tributyl(quinolin-8-yloxy)stannane?
The canonical SMILES for tributyl(quinolin-8-yloxy)stannane is CCCC[Sn](CCCC)(CCCC)Oc1cccc2cccnc12.
What is the InChIKey of tributyl(quinolin-8-yloxy)stannane?
The InChIKey is DJKDNXSBSRRGIU-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H7NO.3C4H9.Sn/c11-8-5-1-3-7-4-2-6-10-9(7)8;3*1-3-4-2;/h1-6,11H;3*1,3-4H2,2H3;/q;;;;+1/p-1.
What are the key properties of tributyl(quinolin-8-yloxy)stannane?
tributyl(quinolin-8-yloxy)stannane has a molecular weight of 434.21 g/mol, XLogP of 6.96, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(quinolin-8-yloxy)stannane is sourced from PubChem (CID 16683764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).