sodium;dioxane;hydroxide

C4H9NaO3 — CID 23667844

IUPACsodium;dioxane;hydroxide
SMILESC1CCOOC1.[Na+].[OH-]
InChIInChI=1S/C4H8O2.Na.H2O/c1-2-4-6-5-3-1;;/h1-4H2;;1H2/q;+1;/p-1
InChIKeyMBOAOQSHFOCPJJ-UHFFFAOYSA-M
MW128.10 g/mol
LogP-2.44
Rot. Bonds

About sodium;dioxane;hydroxide

sodium;dioxane;hydroxide (PubChem CID 23667844) has the molecular formula C4H9NaO3 and a molecular weight of 128.10 g/mol. Its IUPAC name is sodium;dioxane;hydroxide.

Molecular Properties

Compound Namesodium;dioxane;hydroxide
PubChem CID23667844
Molecular FormulaC4H9NaO3
Molecular Weight128.10 g/mol
Exact Mass128.04
IUPAC Namesodium;dioxane;hydroxide
SMILESC1CCOOC1.[Na+].[OH-]
InChIInChI=1S/C4H8O2.Na.H2O/c1-2-4-6-5-3-1;;/h1-4H2;;1H2/q;+1;/p-1
InChIKeyMBOAOQSHFOCPJJ-UHFFFAOYSA-M
XLogP-2.44
TPSA48.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.10
LogP ≤ 5-2.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze sodium;dioxane;hydroxide 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

azane;dioxolane
CID 173091565
dioxolane;oxolane
CID 174271510
1,2,5-trioxonane
CID 59717904
1,2,5-trioxecane
CID 21461492
trioxepane
CID 22026430
1,2,3-trioxacyclotridecane
CID 173021633
1,2,4-trioxonane
CID 139949049
dioxetane;hydrate
CID 139632933
1,2,3,4,5-pentaoxacyclononadecane
CID 87887088
sodium;methanol;oxolane;hydroxide
CID 68905432
acetonitrile;dioxane;oxolane
CID 22901643
azane;dioxane;morpholine
CID 88848111

Frequently Asked Questions

What is the IUPAC name of sodium;dioxane;hydroxide?
The IUPAC name of sodium;dioxane;hydroxide (CID 23667844) is sodium;dioxane;hydroxide.
What is the SMILES notation for sodium;dioxane;hydroxide?
The canonical SMILES for sodium;dioxane;hydroxide is C1CCOOC1.[Na+].[OH-].
What is the InChIKey of sodium;dioxane;hydroxide?
The InChIKey is MBOAOQSHFOCPJJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8O2.Na.H2O/c1-2-4-6-5-3-1;;/h1-4H2;;1H2/q;+1;/p-1.
What are the key properties of sodium;dioxane;hydroxide?
sodium;dioxane;hydroxide has a molecular weight of 128.10 g/mol, XLogP of -2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dioxane;hydroxide is sourced from PubChem (CID 23667844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).