6-methyl-1,3,6,2λ2-dioxazastannocane

C5H11NO2Sn — CID 16697648

IUPAC6-methyl-1,3,6,2λ2-dioxazastannocane
SMILESCN1CCO[Sn]OCC1
InChIInChI=1S/C5H11NO2.Sn/c1-6(2-4-7)3-5-8;/h2-5H2,1H3;/q-2;+2
InChIKeyQUXMKHBWDKINCJ-UHFFFAOYSA-N
MW235.86 g/mol
LogP-0.50
Rot. Bonds

About 6-methyl-1,3,6,2λ2-dioxazastannocane

6-methyl-1,3,6,2λ2-dioxazastannocane (PubChem CID 16697648) has the molecular formula C5H11NO2Sn and a molecular weight of 235.86 g/mol. Its IUPAC name is 6-methyl-1,3,6,2λ2-dioxazastannocane.

Molecular Properties

Compound Name6-methyl-1,3,6,2λ2-dioxazastannocane
PubChem CID16697648
Molecular FormulaC5H11NO2Sn
Molecular Weight235.86 g/mol
Exact Mass236.98
IUPAC Name6-methyl-1,3,6,2λ2-dioxazastannocane
SMILESCN1CCO[Sn]OCC1
InChIInChI=1S/C5H11NO2.Sn/c1-6(2-4-7)3-5-8;/h2-5H2,1H3;/q-2;+2
InChIKeyQUXMKHBWDKINCJ-UHFFFAOYSA-N
XLogP-0.50
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.86
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,3,6,2λ2-dioxazastannocane?
The IUPAC name of 6-methyl-1,3,6,2λ2-dioxazastannocane (CID 16697648) is 6-methyl-1,3,6,2λ2-dioxazastannocane.
What is the SMILES notation for 6-methyl-1,3,6,2λ2-dioxazastannocane?
The canonical SMILES for 6-methyl-1,3,6,2λ2-dioxazastannocane is CN1CCO[Sn]OCC1.
What is the InChIKey of 6-methyl-1,3,6,2λ2-dioxazastannocane?
The InChIKey is QUXMKHBWDKINCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.Sn/c1-6(2-4-7)3-5-8;/h2-5H2,1H3;/q-2;+2.
What are the key properties of 6-methyl-1,3,6,2λ2-dioxazastannocane?
6-methyl-1,3,6,2λ2-dioxazastannocane has a molecular weight of 235.86 g/mol, XLogP of -0.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,3,6,2λ2-dioxazastannocane is sourced from PubChem (CID 16697648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).