3-oxa-6-azoniaspiro[5.6]dodecane

C10H20NO+ — CID 4102541

IUPAC3-oxa-6-azoniaspiro[5.6]dodecane
SMILESC1CCC[N+]2(CC1)CCOCC2
InChIInChI=1S/C10H20NO/c1-2-4-6-11(5-3-1)7-9-12-10-8-11/h1-10H2/q+1
InChIKeyFZBVVOPIGYAKDX-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.41
Rot. Bonds

About 3-oxa-6-azoniaspiro[5.6]dodecane

3-oxa-6-azoniaspiro[5.6]dodecane (PubChem CID 4102541) has the molecular formula C10H20NO+ and a molecular weight of 170.28 g/mol. Its IUPAC name is 3-oxa-6-azoniaspiro[5.6]dodecane.

Molecular Properties

Compound Name3-oxa-6-azoniaspiro[5.6]dodecane
PubChem CID4102541
Molecular FormulaC10H20NO+
Molecular Weight170.28 g/mol
Exact Mass170.15
IUPAC Name3-oxa-6-azoniaspiro[5.6]dodecane
SMILESC1CCC[N+]2(CC1)CCOCC2
InChIInChI=1S/C10H20NO/c1-2-4-6-11(5-3-1)7-9-12-10-8-11/h1-10H2/q+1
InChIKeyFZBVVOPIGYAKDX-UHFFFAOYSA-N
XLogP1.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.41
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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Related Compounds

4-azoniaspiro[3.5]nonane bromide
CID 120999991
7-oxa-5-azoniaspiro[4.5]decane
CID 58827450
5-azoniaspiro[4.4]nonane;chloride;hydrate
CID 139201464
cyclobutane;1,4-dioxane
CID 160886837
oxane;oxepane;oxocane;oxolane
CID 159745968
cycloheptane;oxolane
CID 23033083
cyclobutane;oxolane
CID 158733546
oxacyclotetracosane
CID 57108486
oxolane;oxonane
CID 159283889
cyclohexane;oxane
CID 20574508
oxacycloheptadecane
CID 22011753
1,4-dioxane;stannane
CID 174822243

Frequently Asked Questions

What is the IUPAC name of 3-oxa-6-azoniaspiro[5.6]dodecane?
The IUPAC name of 3-oxa-6-azoniaspiro[5.6]dodecane (CID 4102541) is 3-oxa-6-azoniaspiro[5.6]dodecane.
What is the SMILES notation for 3-oxa-6-azoniaspiro[5.6]dodecane?
The canonical SMILES for 3-oxa-6-azoniaspiro[5.6]dodecane is C1CCC[N+]2(CC1)CCOCC2.
What is the InChIKey of 3-oxa-6-azoniaspiro[5.6]dodecane?
The InChIKey is FZBVVOPIGYAKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20NO/c1-2-4-6-11(5-3-1)7-9-12-10-8-11/h1-10H2/q+1.
What are the key properties of 3-oxa-6-azoniaspiro[5.6]dodecane?
3-oxa-6-azoniaspiro[5.6]dodecane has a molecular weight of 170.28 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxa-6-azoniaspiro[5.6]dodecane is sourced from PubChem (CID 4102541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).