4,4-dimethyl-1-oxa-4-azoniaspiro[4.5]decane

C10H20NO+ — CID 773833

IUPAC4,4-dimethyl-1-oxa-4-azoniaspiro[4.5]decane
SMILESC[N+]1(C)CCOC12CCCCC2
InChIInChI=1S/C10H20NO/c1-11(2)8-9-12-10(11)6-4-3-5-7-10/h3-9H2,1-2H3/q+1
InChIKeyBJUSSEDIQXLOJU-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.75
Rot. Bonds

About 4,4-dimethyl-1-oxa-4-azoniaspiro[4.5]decane

4,4-dimethyl-1-oxa-4-azoniaspiro[4.5]decane (PubChem CID 773833) has the molecular formula C10H20NO+ and a molecular weight of 170.28 g/mol. Its IUPAC name is 4,4-dimethyl-1-oxa-4-azoniaspiro[4.5]decane.

Molecular Properties

Compound Name4,4-dimethyl-1-oxa-4-azoniaspiro[4.5]decane
PubChem CID773833
Molecular FormulaC10H20NO+
Molecular Weight170.28 g/mol
Exact Mass170.15
IUPAC Name4,4-dimethyl-1-oxa-4-azoniaspiro[4.5]decane
SMILESC[N+]1(C)CCOC12CCCCC2
InChIInChI=1S/C10H20NO/c1-11(2)8-9-12-10(11)6-4-3-5-7-10/h3-9H2,1-2H3/q+1
InChIKeyBJUSSEDIQXLOJU-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
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 4,4-dimethyl-1-oxa-4-azoniaspiro[4.5]decane?
The IUPAC name of 4,4-dimethyl-1-oxa-4-azoniaspiro[4.5]decane (CID 773833) is 4,4-dimethyl-1-oxa-4-azoniaspiro[4.5]decane.
What is the SMILES notation for 4,4-dimethyl-1-oxa-4-azoniaspiro[4.5]decane?
The canonical SMILES for 4,4-dimethyl-1-oxa-4-azoniaspiro[4.5]decane is C[N+]1(C)CCOC12CCCCC2.
What is the InChIKey of 4,4-dimethyl-1-oxa-4-azoniaspiro[4.5]decane?
The InChIKey is BJUSSEDIQXLOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20NO/c1-11(2)8-9-12-10(11)6-4-3-5-7-10/h3-9H2,1-2H3/q+1.
What are the key properties of 4,4-dimethyl-1-oxa-4-azoniaspiro[4.5]decane?
4,4-dimethyl-1-oxa-4-azoniaspiro[4.5]decane has a molecular weight of 170.28 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-oxa-4-azoniaspiro[4.5]decane is sourced from PubChem (CID 773833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).