9-ethyl-9-methyl-1-oxa-9-azoniaspiro[5.5]undecane

C12H24NO+ — CID 91483519

IUPAC9-ethyl-9-methyl-1-oxa-9-azoniaspiro[5.5]undecane
SMILESCC[N+]1(C)CCC2(CCCCO2)CC1
InChIInChI=1S/C12H24NO/c1-3-13(2)9-7-12(8-10-13)6-4-5-11-14-12/h3-11H2,1-2H3/q+1
InChIKeyMZJYDGBNSKEIRT-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.19
Rot. Bonds1

About 9-ethyl-9-methyl-1-oxa-9-azoniaspiro[5.5]undecane

9-ethyl-9-methyl-1-oxa-9-azoniaspiro[5.5]undecane (PubChem CID 91483519) has the molecular formula C12H24NO+ and a molecular weight of 198.33 g/mol. Its IUPAC name is 9-ethyl-9-methyl-1-oxa-9-azoniaspiro[5.5]undecane.

Molecular Properties

Compound Name9-ethyl-9-methyl-1-oxa-9-azoniaspiro[5.5]undecane
PubChem CID91483519
Molecular FormulaC12H24NO+
Molecular Weight198.33 g/mol
Exact Mass198.19
IUPAC Name9-ethyl-9-methyl-1-oxa-9-azoniaspiro[5.5]undecane
SMILESCC[N+]1(C)CCC2(CCCCO2)CC1
InChIInChI=1S/C12H24NO/c1-3-13(2)9-7-12(8-10-13)6-4-5-11-14-12/h3-11H2,1-2H3/q+1
InChIKeyMZJYDGBNSKEIRT-UHFFFAOYSA-N
XLogP2.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-9-methyl-1-oxa-9-azoniaspiro[5.5]undecane?
The IUPAC name of 9-ethyl-9-methyl-1-oxa-9-azoniaspiro[5.5]undecane (CID 91483519) is 9-ethyl-9-methyl-1-oxa-9-azoniaspiro[5.5]undecane.
What is the SMILES notation for 9-ethyl-9-methyl-1-oxa-9-azoniaspiro[5.5]undecane?
The canonical SMILES for 9-ethyl-9-methyl-1-oxa-9-azoniaspiro[5.5]undecane is CC[N+]1(C)CCC2(CCCCO2)CC1.
What is the InChIKey of 9-ethyl-9-methyl-1-oxa-9-azoniaspiro[5.5]undecane?
The InChIKey is MZJYDGBNSKEIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24NO/c1-3-13(2)9-7-12(8-10-13)6-4-5-11-14-12/h3-11H2,1-2H3/q+1.
What are the key properties of 9-ethyl-9-methyl-1-oxa-9-azoniaspiro[5.5]undecane?
9-ethyl-9-methyl-1-oxa-9-azoniaspiro[5.5]undecane has a molecular weight of 198.33 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-9-methyl-1-oxa-9-azoniaspiro[5.5]undecane is sourced from PubChem (CID 91483519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).