tributyl-(3,5-dimethyl-1,2-oxazol-4-yl)stannane

C17H33NOSn — CID 15062215

IUPACtributyl-(3,5-dimethyl-1,2-oxazol-4-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1c(C)noc1C
InChIInChI=1S/C5H6NO.3C4H9.Sn/c1-4-3-5(2)7-6-4;3*1-3-4-2;/h1-2H3;3*1,3-4H2,2H3;
InChIKeyPKYSINBSZIXTHF-UHFFFAOYSA-N
MW386.17 g/mol
LogP5.35
Rot. Bonds10

About tributyl-(3,5-dimethyl-1,2-oxazol-4-yl)stannane

tributyl-(3,5-dimethyl-1,2-oxazol-4-yl)stannane (PubChem CID 15062215) has the molecular formula C17H33NOSn and a molecular weight of 386.17 g/mol. Its IUPAC name is tributyl-(3,5-dimethyl-1,2-oxazol-4-yl)stannane.

Molecular Properties

Compound Nametributyl-(3,5-dimethyl-1,2-oxazol-4-yl)stannane
PubChem CID15062215
Molecular FormulaC17H33NOSn
Molecular Weight386.17 g/mol
Exact Mass387.16
IUPAC Nametributyl-(3,5-dimethyl-1,2-oxazol-4-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1c(C)noc1C
InChIInChI=1S/C5H6NO.3C4H9.Sn/c1-4-3-5(2)7-6-4;3*1-3-4-2;/h1-2H3;3*1,3-4H2,2H3;
InChIKeyPKYSINBSZIXTHF-UHFFFAOYSA-N
XLogP5.35
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.17
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tributyl-(3,5-dimethyl-1,2-oxazol-4-yl)stannane?
The IUPAC name of tributyl-(3,5-dimethyl-1,2-oxazol-4-yl)stannane (CID 15062215) is tributyl-(3,5-dimethyl-1,2-oxazol-4-yl)stannane.
What is the SMILES notation for tributyl-(3,5-dimethyl-1,2-oxazol-4-yl)stannane?
The canonical SMILES for tributyl-(3,5-dimethyl-1,2-oxazol-4-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1c(C)noc1C.
What is the InChIKey of tributyl-(3,5-dimethyl-1,2-oxazol-4-yl)stannane?
The InChIKey is PKYSINBSZIXTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6NO.3C4H9.Sn/c1-4-3-5(2)7-6-4;3*1-3-4-2;/h1-2H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(3,5-dimethyl-1,2-oxazol-4-yl)stannane?
tributyl-(3,5-dimethyl-1,2-oxazol-4-yl)stannane has a molecular weight of 386.17 g/mol, XLogP of 5.35, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(3,5-dimethyl-1,2-oxazol-4-yl)stannane is sourced from PubChem (CID 15062215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).