5-azoniaspiro[4.4]nonan-3-ol hydroxide

C8H17NO2 — CID 175828407

IUPAC5-azoniaspiro[4.4]nonan-3-ol hydroxide
SMILESOC1CC[N+]2(CCCC2)C1.[OH-]
InChIInChI=1S/C8H16NO.H2O/c10-8-3-6-9(7-8)4-1-2-5-9;/h8,10H,1-7H2;1H2/q+1;/p-1
InChIKeyRNMGHSLGRSUKMK-UHFFFAOYSA-M
MW159.23 g/mol
LogP0.18
Rot. Bonds

About 5-azoniaspiro[4.4]nonan-3-ol hydroxide

5-azoniaspiro[4.4]nonan-3-ol hydroxide (PubChem CID 175828407) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 5-azoniaspiro[4.4]nonan-3-ol hydroxide.

Molecular Properties

Compound Name5-azoniaspiro[4.4]nonan-3-ol hydroxide
PubChem CID175828407
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name5-azoniaspiro[4.4]nonan-3-ol hydroxide
SMILESOC1CC[N+]2(CCCC2)C1.[OH-]
InChIInChI=1S/C8H16NO.H2O/c10-8-3-6-9(7-8)4-1-2-5-9;/h8,10H,1-7H2;1H2/q+1;/p-1
InChIKeyRNMGHSLGRSUKMK-UHFFFAOYSA-M
XLogP0.18
TPSA50.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-azoniaspiro[4.5]decan-3-ol
CID 152942581
4-azoniaspiro[3.5]nonan-2-ol chloride
CID 658522
4-azoniaspiro[3.3]heptane-2,6-diol
CID 101407381
(3R)-1,1-dimethylpyrrolidin-1-ium-3-ol iodide
CID 146627833
3,5-dimethyl-7-azoniaspiro[6.6]tridecane
CID 121380526
2,3-diethyl-5-azoniaspiro[4.5]decan-8-ol
CID 20676421
8,9-dimethyl-5-azoniaspiro[4.6]undecane
CID 121299550
cyclobutanol;cyclopropanol
CID 175019048
4-ethyl-2-methyl-6-azoniaspiro[5.5]undecan-9-ol
CID 20676436
5-azoniaspiro[4.4]nonan-3-yl 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 3059296
potassium cyclopropanol
CID 18764435
cyclohexane-1,4-diol
CID 11162

Frequently Asked Questions

What is the IUPAC name of 5-azoniaspiro[4.4]nonan-3-ol hydroxide?
The IUPAC name of 5-azoniaspiro[4.4]nonan-3-ol hydroxide (CID 175828407) is 5-azoniaspiro[4.4]nonan-3-ol hydroxide.
What is the SMILES notation for 5-azoniaspiro[4.4]nonan-3-ol hydroxide?
The canonical SMILES for 5-azoniaspiro[4.4]nonan-3-ol hydroxide is OC1CC[N+]2(CCCC2)C1.[OH-].
What is the InChIKey of 5-azoniaspiro[4.4]nonan-3-ol hydroxide?
The InChIKey is RNMGHSLGRSUKMK-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16NO.H2O/c10-8-3-6-9(7-8)4-1-2-5-9;/h8,10H,1-7H2;1H2/q+1;/p-1.
What are the key properties of 5-azoniaspiro[4.4]nonan-3-ol hydroxide?
5-azoniaspiro[4.4]nonan-3-ol hydroxide has a molecular weight of 159.23 g/mol, XLogP of 0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azoniaspiro[4.4]nonan-3-ol hydroxide is sourced from PubChem (CID 175828407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).