4-ethoxy-1-oxa-9-azaspiro[5.5]undecane

C11H21NO2 — CID 172908781

IUPAC4-ethoxy-1-oxa-9-azaspiro[5.5]undecane
SMILESCCOC1CCOC2(CCNCC2)C1
InChIInChI=1S/C11H21NO2/c1-2-13-10-3-8-14-11(9-10)4-6-12-7-5-11/h10,12H,2-9H2,1H3
InChIKeyIPQQFJFWEAHYSS-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.32
Rot. Bonds2

About 4-ethoxy-1-oxa-9-azaspiro[5.5]undecane

4-ethoxy-1-oxa-9-azaspiro[5.5]undecane (PubChem CID 172908781) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-ethoxy-1-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name4-ethoxy-1-oxa-9-azaspiro[5.5]undecane
PubChem CID172908781
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-ethoxy-1-oxa-9-azaspiro[5.5]undecane
SMILESCCOC1CCOC2(CCNCC2)C1
InChIInChI=1S/C11H21NO2/c1-2-13-10-3-8-14-11(9-10)4-6-12-7-5-11/h10,12H,2-9H2,1H3
InChIKeyIPQQFJFWEAHYSS-UHFFFAOYSA-N
XLogP1.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 4-ethoxy-1-oxa-9-azaspiro[5.5]undecane (CID 172908781) is 4-ethoxy-1-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 4-ethoxy-1-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 4-ethoxy-1-oxa-9-azaspiro[5.5]undecane is CCOC1CCOC2(CCNCC2)C1.
What is the InChIKey of 4-ethoxy-1-oxa-9-azaspiro[5.5]undecane?
The InChIKey is IPQQFJFWEAHYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-13-10-3-8-14-11(9-10)4-6-12-7-5-11/h10,12H,2-9H2,1H3.
What are the key properties of 4-ethoxy-1-oxa-9-azaspiro[5.5]undecane?
4-ethoxy-1-oxa-9-azaspiro[5.5]undecane has a molecular weight of 199.29 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 172908781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).