2,2-dibutyl-5,6-diphenyl-6H-1,3,4,2-dioxazastannine

C22H29NO2Sn — CID 16683569

IUPAC2,2-dibutyl-5,6-diphenyl-6H-1,3,4,2-dioxazastannine
SMILESCCCC[Sn]1(CCCC)ON=C(c2ccccc2)C(c2ccccc2)O1
InChIInChI=1S/C14H12NO2.2C4H9.Sn/c16-14(12-9-5-2-6-10-12)13(15-17)11-7-3-1-4-8-11;2*1-3-4-2;/h1-10,14,17H;2*1,3-4H2,2H3;/q-1;;;+2/p-1/b15-13-;;;
InChIKeyYWAUFBMPZSGXNF-WJPKGVJZSA-M
MW458.19 g/mol
LogP6.22
Rot. Bonds8

About 2,2-dibutyl-5,6-diphenyl-6H-1,3,4,2-dioxazastannine

2,2-dibutyl-5,6-diphenyl-6H-1,3,4,2-dioxazastannine (PubChem CID 16683569) has the molecular formula C22H29NO2Sn and a molecular weight of 458.19 g/mol. Its IUPAC name is 2,2-dibutyl-5,6-diphenyl-6H-1,3,4,2-dioxazastannine.

Molecular Properties

Compound Name2,2-dibutyl-5,6-diphenyl-6H-1,3,4,2-dioxazastannine
PubChem CID16683569
Molecular FormulaC22H29NO2Sn
Molecular Weight458.19 g/mol
Exact Mass459.12
IUPAC Name2,2-dibutyl-5,6-diphenyl-6H-1,3,4,2-dioxazastannine
SMILESCCCC[Sn]1(CCCC)ON=C(c2ccccc2)C(c2ccccc2)O1
InChIInChI=1S/C14H12NO2.2C4H9.Sn/c16-14(12-9-5-2-6-10-12)13(15-17)11-7-3-1-4-8-11;2*1-3-4-2;/h1-10,14,17H;2*1,3-4H2,2H3;/q-1;;;+2/p-1/b15-13-;;;
InChIKeyYWAUFBMPZSGXNF-WJPKGVJZSA-M
XLogP6.22
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.19
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dibutyl-5,6-diphenyl-6H-1,3,4,2-dioxazastannine?
The IUPAC name of 2,2-dibutyl-5,6-diphenyl-6H-1,3,4,2-dioxazastannine (CID 16683569) is 2,2-dibutyl-5,6-diphenyl-6H-1,3,4,2-dioxazastannine.
What is the SMILES notation for 2,2-dibutyl-5,6-diphenyl-6H-1,3,4,2-dioxazastannine?
The canonical SMILES for 2,2-dibutyl-5,6-diphenyl-6H-1,3,4,2-dioxazastannine is CCCC[Sn]1(CCCC)ON=C(c2ccccc2)C(c2ccccc2)O1.
What is the InChIKey of 2,2-dibutyl-5,6-diphenyl-6H-1,3,4,2-dioxazastannine?
The InChIKey is YWAUFBMPZSGXNF-WJPKGVJZSA-M. The full InChI is InChI=1S/C14H12NO2.2C4H9.Sn/c16-14(12-9-5-2-6-10-12)13(15-17)11-7-3-1-4-8-11;2*1-3-4-2;/h1-10,14,17H;2*1,3-4H2,2H3;/q-1;;;+2/p-1/b15-13-;;;.
What are the key properties of 2,2-dibutyl-5,6-diphenyl-6H-1,3,4,2-dioxazastannine?
2,2-dibutyl-5,6-diphenyl-6H-1,3,4,2-dioxazastannine has a molecular weight of 458.19 g/mol, XLogP of 6.22, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibutyl-5,6-diphenyl-6H-1,3,4,2-dioxazastannine is sourced from PubChem (CID 16683569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).