5-azoniaspiro[4.5]decan-3-ol

C9H18NO+ — CID 152942581

IUPAC5-azoniaspiro[4.5]decan-3-ol
SMILESOC1CC[N+]2(CCCCC2)C1
InChIInChI=1S/C9H18NO/c11-9-4-7-10(8-9)5-2-1-3-6-10/h9,11H,1-8H2/q+1
InChIKeyUNCNXLGIHJZQAN-UHFFFAOYSA-N
MW156.25 g/mol
LogP0.75
Rot. Bonds

About 5-azoniaspiro[4.5]decan-3-ol

5-azoniaspiro[4.5]decan-3-ol (PubChem CID 152942581) has the molecular formula C9H18NO+ and a molecular weight of 156.25 g/mol. Its IUPAC name is 5-azoniaspiro[4.5]decan-3-ol.

Molecular Properties

Compound Name5-azoniaspiro[4.5]decan-3-ol
PubChem CID152942581
Molecular FormulaC9H18NO+
Molecular Weight156.25 g/mol
Exact Mass156.14
IUPAC Name5-azoniaspiro[4.5]decan-3-ol
SMILESOC1CC[N+]2(CCCCC2)C1
InChIInChI=1S/C9H18NO/c11-9-4-7-10(8-9)5-2-1-3-6-10/h9,11H,1-8H2/q+1
InChIKeyUNCNXLGIHJZQAN-UHFFFAOYSA-N
XLogP0.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-azoniaspiro[4.5]decan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-azoniaspiro[4.4]nonan-3-ol hydroxide
CID 175828407
4-azoniaspiro[3.5]nonan-2-ol chloride
CID 658522
3,5-dimethyl-7-azoniaspiro[6.6]tridecane
CID 121380526
4-azoniaspiro[3.3]heptane-2,6-diol
CID 101407381
(3R)-1,1-dimethylpyrrolidin-1-ium-3-ol iodide
CID 146627833
2,3-diethyl-5-azoniaspiro[4.5]decan-8-ol
CID 20676421
8,9-dimethyl-5-azoniaspiro[4.6]undecane
CID 121299550
4-azoniaspiro[3.5]nonane bromide
CID 120999991
cyclohexanol;cyclooctanol
CID 22461579
cyclobutanol;cyclopropanol
CID 175019048
5-azoniaspiro[4.4]nonan-3-yl 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 3059296
tetrakis(cyclooctanol);zirconium
CID 142301923

Frequently Asked Questions

What is the IUPAC name of 5-azoniaspiro[4.5]decan-3-ol?
The IUPAC name of 5-azoniaspiro[4.5]decan-3-ol (CID 152942581) is 5-azoniaspiro[4.5]decan-3-ol.
What is the SMILES notation for 5-azoniaspiro[4.5]decan-3-ol?
The canonical SMILES for 5-azoniaspiro[4.5]decan-3-ol is OC1CC[N+]2(CCCCC2)C1.
What is the InChIKey of 5-azoniaspiro[4.5]decan-3-ol?
The InChIKey is UNCNXLGIHJZQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO/c11-9-4-7-10(8-9)5-2-1-3-6-10/h9,11H,1-8H2/q+1.
What are the key properties of 5-azoniaspiro[4.5]decan-3-ol?
5-azoniaspiro[4.5]decan-3-ol has a molecular weight of 156.25 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azoniaspiro[4.5]decan-3-ol is sourced from PubChem (CID 152942581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).