7-oxa-5-azoniaspiro[4.5]decane

C8H16NO+ — CID 58827450

IUPAC7-oxa-5-azoniaspiro[4.5]decane
SMILESC1CC[N+]2(C1)CCCOC2
InChIInChI=1S/C8H16NO/c1-2-5-9(4-1)6-3-7-10-8-9/h1-8H2/q+1
InChIKeyNBOZCIZFAXZUOG-UHFFFAOYSA-N
MW142.22 g/mol
LogP0.97
Rot. Bonds

About 7-oxa-5-azoniaspiro[4.5]decane

7-oxa-5-azoniaspiro[4.5]decane (PubChem CID 58827450) has the molecular formula C8H16NO+ and a molecular weight of 142.22 g/mol. Its IUPAC name is 7-oxa-5-azoniaspiro[4.5]decane.

Molecular Properties

Compound Name7-oxa-5-azoniaspiro[4.5]decane
PubChem CID58827450
Molecular FormulaC8H16NO+
Molecular Weight142.22 g/mol
Exact Mass142.12
IUPAC Name7-oxa-5-azoniaspiro[4.5]decane
SMILESC1CC[N+]2(C1)CCCOC2
InChIInChI=1S/C8H16NO/c1-2-5-9(4-1)6-3-7-10-8-9/h1-8H2/q+1
InChIKeyNBOZCIZFAXZUOG-UHFFFAOYSA-N
XLogP0.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 50.97
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

3-oxa-6-azoniaspiro[5.6]dodecane
CID 4102541
5-azoniaspiro[4.4]nonane;chloride;hydrate
CID 139201464
1,6,11,16,21,26,31-heptaoxacyclopentatriacontane
CID 15446455
1,6,11,16,21,26,31,36,41,46-decaoxacyclopentacontane
CID 15446458
4-azoniaspiro[3.5]nonane bromide
CID 120999991
cyclohexane;oxane
CID 20574508
manganese;oxolane
CID 70504486
1,5,10,14-tetraoxacyclooctadecane
CID 57048709
oxane;oxepane;oxocane;oxolane
CID 159745968
cycloheptane;oxolane
CID 23033083
cyclobutane;oxolane
CID 158733546
oxacyclotetracosane
CID 57108486

Frequently Asked Questions

What is the IUPAC name of 7-oxa-5-azoniaspiro[4.5]decane?
The IUPAC name of 7-oxa-5-azoniaspiro[4.5]decane (CID 58827450) is 7-oxa-5-azoniaspiro[4.5]decane.
What is the SMILES notation for 7-oxa-5-azoniaspiro[4.5]decane?
The canonical SMILES for 7-oxa-5-azoniaspiro[4.5]decane is C1CC[N+]2(C1)CCCOC2.
What is the InChIKey of 7-oxa-5-azoniaspiro[4.5]decane?
The InChIKey is NBOZCIZFAXZUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO/c1-2-5-9(4-1)6-3-7-10-8-9/h1-8H2/q+1.
What are the key properties of 7-oxa-5-azoniaspiro[4.5]decane?
7-oxa-5-azoniaspiro[4.5]decane has a molecular weight of 142.22 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxa-5-azoniaspiro[4.5]decane is sourced from PubChem (CID 58827450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).