9,9-dimethyl-1,5-dioxa-9-azoniaspiro[5.5]undecane

C10H20NO2+ — CID 101394183

IUPAC9,9-dimethyl-1,5-dioxa-9-azoniaspiro[5.5]undecane
SMILESC[N+]1(C)CCC2(CC1)OCCCO2
InChIInChI=1S/C10H20NO2/c1-11(2)6-4-10(5-7-11)12-8-3-9-13-10/h3-9H2,1-2H3/q+1
InChIKeyFOJQEYKVCWPCKE-UHFFFAOYSA-N
MW186.27 g/mol
LogP0.99
Rot. Bonds

About 9,9-dimethyl-1,5-dioxa-9-azoniaspiro[5.5]undecane

9,9-dimethyl-1,5-dioxa-9-azoniaspiro[5.5]undecane (PubChem CID 101394183) has the molecular formula C10H20NO2+ and a molecular weight of 186.27 g/mol. Its IUPAC name is 9,9-dimethyl-1,5-dioxa-9-azoniaspiro[5.5]undecane.

Molecular Properties

Compound Name9,9-dimethyl-1,5-dioxa-9-azoniaspiro[5.5]undecane
PubChem CID101394183
Molecular FormulaC10H20NO2+
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name9,9-dimethyl-1,5-dioxa-9-azoniaspiro[5.5]undecane
SMILESC[N+]1(C)CCC2(CC1)OCCCO2
InChIInChI=1S/C10H20NO2/c1-11(2)6-4-10(5-7-11)12-8-3-9-13-10/h3-9H2,1-2H3/q+1
InChIKeyFOJQEYKVCWPCKE-UHFFFAOYSA-N
XLogP0.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-(3,3-Diethoxypropyl)piperidine
CID 56624991
Ethane;9-ethyl-11,11-difluoro-1,5-dioxa-9-azaspiro[5.5]undecane
CID 176563261
11,11-Difluoro-9-methyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 176563569
Ethane;9-ethyl-11,11-difluoro-1,5-dioxa-9-azaspiro[5.5]undecane
CID 176563762
11,11-Difluoro-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 176563835
11,11-Difluoro-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane;ethane
CID 176563927
11,11-Difluoro-9-methyl-1,5-dioxa-9-azaspiro[5.5]undecane;ethane
CID 176564044
9-Methyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 336490
8,8-Dimethyl-1,4-dioxa-8-azoniaspiro[4.5]decane
CID 12872419
8-Ethyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 21606937
9-Ethyl-11,11-difluoro-1,5-dioxa-9-azaspiro[5.5]undecane
CID 176563262
1-(1,5-Dioxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 90510374

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-1,5-dioxa-9-azoniaspiro[5.5]undecane?
The IUPAC name of 9,9-dimethyl-1,5-dioxa-9-azoniaspiro[5.5]undecane (CID 101394183) is 9,9-dimethyl-1,5-dioxa-9-azoniaspiro[5.5]undecane.
What is the SMILES notation for 9,9-dimethyl-1,5-dioxa-9-azoniaspiro[5.5]undecane?
The canonical SMILES for 9,9-dimethyl-1,5-dioxa-9-azoniaspiro[5.5]undecane is C[N+]1(C)CCC2(CC1)OCCCO2.
What is the InChIKey of 9,9-dimethyl-1,5-dioxa-9-azoniaspiro[5.5]undecane?
The InChIKey is FOJQEYKVCWPCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20NO2/c1-11(2)6-4-10(5-7-11)12-8-3-9-13-10/h3-9H2,1-2H3/q+1.
What are the key properties of 9,9-dimethyl-1,5-dioxa-9-azoniaspiro[5.5]undecane?
9,9-dimethyl-1,5-dioxa-9-azoniaspiro[5.5]undecane has a molecular weight of 186.27 g/mol, XLogP of 0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-1,5-dioxa-9-azoniaspiro[5.5]undecane is sourced from PubChem (CID 101394183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).