1,3,6,2-dioxazastannocane

C4H11NO2Sn — CID 88803424

IUPAC1,3,6,2-dioxazastannocane
SMILESC1CO[SnH2]OCCN1
InChIInChI=1S/C4H9NO2.Sn.2H/c6-3-1-5-2-4-7;;;/h5H,1-4H2;;;/q-2;+2;;
InChIKeyGFUOXWICKBIUTA-UHFFFAOYSA-N
MW223.85 g/mol
LogP-1.38
Rot. Bonds

About 1,3,6,2-dioxazastannocane

1,3,6,2-dioxazastannocane (PubChem CID 88803424) has the molecular formula C4H11NO2Sn and a molecular weight of 223.85 g/mol. Its IUPAC name is 1,3,6,2-dioxazastannocane.

Molecular Properties

Compound Name1,3,6,2-dioxazastannocane
PubChem CID88803424
Molecular FormulaC4H11NO2Sn
Molecular Weight223.85 g/mol
Exact Mass224.98
IUPAC Name1,3,6,2-dioxazastannocane
SMILESC1CO[SnH2]OCCN1
InChIInChI=1S/C4H9NO2.Sn.2H/c6-3-1-5-2-4-7;;;/h5H,1-4H2;;;/q-2;+2;;
InChIKeyGFUOXWICKBIUTA-UHFFFAOYSA-N
XLogP-1.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.85
LogP ≤ 5-1.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,6,2-dioxazastannocane?
The IUPAC name of 1,3,6,2-dioxazastannocane (CID 88803424) is 1,3,6,2-dioxazastannocane.
What is the SMILES notation for 1,3,6,2-dioxazastannocane?
The canonical SMILES for 1,3,6,2-dioxazastannocane is C1CO[SnH2]OCCN1.
What is the InChIKey of 1,3,6,2-dioxazastannocane?
The InChIKey is GFUOXWICKBIUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.Sn.2H/c6-3-1-5-2-4-7;;;/h5H,1-4H2;;;/q-2;+2;;.
What are the key properties of 1,3,6,2-dioxazastannocane?
1,3,6,2-dioxazastannocane has a molecular weight of 223.85 g/mol, XLogP of -1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6,2-dioxazastannocane is sourced from PubChem (CID 88803424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).