4-ethyl-2,6,7-trioxa-1-arsabicyclo[2.2.2]octane

C6H11AsO3 — CID 3051637

IUPAC4-ethyl-2,6,7-trioxa-1-arsabicyclo[2.2.2]octane
SMILESCCC12CO[As](OC1)OC2
InChIInChI=1S/C6H11AsO3/c1-2-6-3-8-7(9-4-6)10-5-6/h2-5H2,1H3
InChIKeyFLTCWLUFYQIHJS-UHFFFAOYSA-N
MW206.07 g/mol
LogP0.44
Rot. Bonds1

About 4-ethyl-2,6,7-trioxa-1-arsabicyclo[2.2.2]octane

4-ethyl-2,6,7-trioxa-1-arsabicyclo[2.2.2]octane (PubChem CID 3051637) has the molecular formula C6H11AsO3 and a molecular weight of 206.07 g/mol. Its IUPAC name is 4-ethyl-2,6,7-trioxa-1-arsabicyclo[2.2.2]octane.

Molecular Properties

Compound Name4-ethyl-2,6,7-trioxa-1-arsabicyclo[2.2.2]octane
PubChem CID3051637
Molecular FormulaC6H11AsO3
Molecular Weight206.07 g/mol
Exact Mass205.99
IUPAC Name4-ethyl-2,6,7-trioxa-1-arsabicyclo[2.2.2]octane
SMILESCCC12CO[As](OC1)OC2
InChIInChI=1S/C6H11AsO3/c1-2-6-3-8-7(9-4-6)10-5-6/h2-5H2,1H3
InChIKeyFLTCWLUFYQIHJS-UHFFFAOYSA-N
XLogP0.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.07
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,6,7-trioxa-1-arsabicyclo[2.2.2]octane?
The IUPAC name of 4-ethyl-2,6,7-trioxa-1-arsabicyclo[2.2.2]octane (CID 3051637) is 4-ethyl-2,6,7-trioxa-1-arsabicyclo[2.2.2]octane.
What is the SMILES notation for 4-ethyl-2,6,7-trioxa-1-arsabicyclo[2.2.2]octane?
The canonical SMILES for 4-ethyl-2,6,7-trioxa-1-arsabicyclo[2.2.2]octane is CCC12CO[As](OC1)OC2.
What is the InChIKey of 4-ethyl-2,6,7-trioxa-1-arsabicyclo[2.2.2]octane?
The InChIKey is FLTCWLUFYQIHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11AsO3/c1-2-6-3-8-7(9-4-6)10-5-6/h2-5H2,1H3.
What are the key properties of 4-ethyl-2,6,7-trioxa-1-arsabicyclo[2.2.2]octane?
4-ethyl-2,6,7-trioxa-1-arsabicyclo[2.2.2]octane has a molecular weight of 206.07 g/mol, XLogP of 0.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,6,7-trioxa-1-arsabicyclo[2.2.2]octane is sourced from PubChem (CID 3051637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).