8-oxa-5-azoniaspiro[4.5]decane

C8H16NO+ — CID 12538958

IUPAC8-oxa-5-azoniaspiro[4.5]decane
SMILESC1CC[N+]2(C1)CCOCC2
InChIInChI=1S/C8H16NO/c1-2-4-9(3-1)5-7-10-8-6-9/h1-8H2/q+1
InChIKeyFQQZXAWORYZTBG-UHFFFAOYSA-N
MW142.22 g/mol
LogP0.63
Rot. Bonds

About 8-oxa-5-azoniaspiro[4.5]decane

8-oxa-5-azoniaspiro[4.5]decane (PubChem CID 12538958) has the molecular formula C8H16NO+ and a molecular weight of 142.22 g/mol. Its IUPAC name is 8-oxa-5-azoniaspiro[4.5]decane.

Molecular Properties

Compound Name8-oxa-5-azoniaspiro[4.5]decane
PubChem CID12538958
Molecular FormulaC8H16NO+
Molecular Weight142.22 g/mol
Exact Mass142.12
IUPAC Name8-oxa-5-azoniaspiro[4.5]decane
SMILESC1CC[N+]2(C1)CCOCC2
InChIInChI=1S/C8H16NO/c1-2-4-9(3-1)5-7-10-8-6-9/h1-8H2/q+1
InChIKeyFQQZXAWORYZTBG-UHFFFAOYSA-N
XLogP0.63
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 ≤ 50.63
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 8-oxa-5-azoniaspiro[4.5]decane?
The IUPAC name of 8-oxa-5-azoniaspiro[4.5]decane (CID 12538958) is 8-oxa-5-azoniaspiro[4.5]decane.
What is the SMILES notation for 8-oxa-5-azoniaspiro[4.5]decane?
The canonical SMILES for 8-oxa-5-azoniaspiro[4.5]decane is C1CC[N+]2(C1)CCOCC2.
What is the InChIKey of 8-oxa-5-azoniaspiro[4.5]decane?
The InChIKey is FQQZXAWORYZTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO/c1-2-4-9(3-1)5-7-10-8-6-9/h1-8H2/q+1.
What are the key properties of 8-oxa-5-azoniaspiro[4.5]decane?
8-oxa-5-azoniaspiro[4.5]decane has a molecular weight of 142.22 g/mol, XLogP of 0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-5-azoniaspiro[4.5]decane is sourced from PubChem (CID 12538958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).