4-ethyl-6,6-dimethyl-3-oxido-2-oxa-3-azoniabicyclo[3.3.1]non-3-en-1-ol

C11H19NO3 — CID 13166100

IUPAC4-ethyl-6,6-dimethyl-3-oxido-2-oxa-3-azoniabicyclo[3.3.1]non-3-en-1-ol
SMILESCCC1=[N+]([O-])OC2(O)CCC(C)(C)C1C2
InChIInChI=1S/C11H19NO3/c1-4-9-8-7-11(13,15-12(9)14)6-5-10(8,2)3/h8,13H,4-7H2,1-3H3
InChIKeyJUWXXJULPWYOIM-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.81
Rot. Bonds1

About 4-ethyl-6,6-dimethyl-3-oxido-2-oxa-3-azoniabicyclo[3.3.1]non-3-en-1-ol

4-ethyl-6,6-dimethyl-3-oxido-2-oxa-3-azoniabicyclo[3.3.1]non-3-en-1-ol (PubChem CID 13166100) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-ethyl-6,6-dimethyl-3-oxido-2-oxa-3-azoniabicyclo[3.3.1]non-3-en-1-ol.

Molecular Properties

Compound Name4-ethyl-6,6-dimethyl-3-oxido-2-oxa-3-azoniabicyclo[3.3.1]non-3-en-1-ol
PubChem CID13166100
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name4-ethyl-6,6-dimethyl-3-oxido-2-oxa-3-azoniabicyclo[3.3.1]non-3-en-1-ol
SMILESCCC1=[N+]([O-])OC2(O)CCC(C)(C)C1C2
InChIInChI=1S/C11H19NO3/c1-4-9-8-7-11(13,15-12(9)14)6-5-10(8,2)3/h8,13H,4-7H2,1-3H3
InChIKeyJUWXXJULPWYOIM-UHFFFAOYSA-N
XLogP1.81
TPSA55.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6,6-dimethyl-3-oxido-2-oxa-3-azoniabicyclo[3.3.1]non-3-en-1-ol?
The IUPAC name of 4-ethyl-6,6-dimethyl-3-oxido-2-oxa-3-azoniabicyclo[3.3.1]non-3-en-1-ol (CID 13166100) is 4-ethyl-6,6-dimethyl-3-oxido-2-oxa-3-azoniabicyclo[3.3.1]non-3-en-1-ol.
What is the SMILES notation for 4-ethyl-6,6-dimethyl-3-oxido-2-oxa-3-azoniabicyclo[3.3.1]non-3-en-1-ol?
The canonical SMILES for 4-ethyl-6,6-dimethyl-3-oxido-2-oxa-3-azoniabicyclo[3.3.1]non-3-en-1-ol is CCC1=[N+]([O-])OC2(O)CCC(C)(C)C1C2.
What is the InChIKey of 4-ethyl-6,6-dimethyl-3-oxido-2-oxa-3-azoniabicyclo[3.3.1]non-3-en-1-ol?
The InChIKey is JUWXXJULPWYOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-9-8-7-11(13,15-12(9)14)6-5-10(8,2)3/h8,13H,4-7H2,1-3H3.
What are the key properties of 4-ethyl-6,6-dimethyl-3-oxido-2-oxa-3-azoniabicyclo[3.3.1]non-3-en-1-ol?
4-ethyl-6,6-dimethyl-3-oxido-2-oxa-3-azoniabicyclo[3.3.1]non-3-en-1-ol has a molecular weight of 213.28 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6,6-dimethyl-3-oxido-2-oxa-3-azoniabicyclo[3.3.1]non-3-en-1-ol is sourced from PubChem (CID 13166100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).