sodium;hydride;oxane-3,5-dione

C5H7NaO3 — CID 66570651

IUPACsodium;hydride;oxane-3,5-dione
SMILESO=C1COCC(=O)C1.[H-].[Na+]
InChIInChI=1S/C5H6O3.Na.H/c6-4-1-5(7)3-8-2-4;;/h1-3H2;;/q;+1;-1
InChIKeyRHZSINUNIPYHIC-UHFFFAOYSA-N
MW138.10 g/mol
LogP-3.34
Rot. Bonds

About sodium;hydride;oxane-3,5-dione

sodium;hydride;oxane-3,5-dione (PubChem CID 66570651) has the molecular formula C5H7NaO3 and a molecular weight of 138.10 g/mol. Its IUPAC name is sodium;hydride;oxane-3,5-dione.

Molecular Properties

Compound Namesodium;hydride;oxane-3,5-dione
PubChem CID66570651
Molecular FormulaC5H7NaO3
Molecular Weight138.10 g/mol
Exact Mass138.03
IUPAC Namesodium;hydride;oxane-3,5-dione
SMILESO=C1COCC(=O)C1.[H-].[Na+]
InChIInChI=1S/C5H6O3.Na.H/c6-4-1-5(7)3-8-2-4;;/h1-3H2;;/q;+1;-1
InChIKeyRHZSINUNIPYHIC-UHFFFAOYSA-N
XLogP-3.34
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.10
LogP ≤ 5-3.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze sodium;hydride;oxane-3,5-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;oxane-3,5-dione?
The IUPAC name of sodium;hydride;oxane-3,5-dione (CID 66570651) is sodium;hydride;oxane-3,5-dione.
What is the SMILES notation for sodium;hydride;oxane-3,5-dione?
The canonical SMILES for sodium;hydride;oxane-3,5-dione is O=C1COCC(=O)C1.[H-].[Na+].
What is the InChIKey of sodium;hydride;oxane-3,5-dione?
The InChIKey is RHZSINUNIPYHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O3.Na.H/c6-4-1-5(7)3-8-2-4;;/h1-3H2;;/q;+1;-1.
What are the key properties of sodium;hydride;oxane-3,5-dione?
sodium;hydride;oxane-3,5-dione has a molecular weight of 138.10 g/mol, XLogP of -3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;oxane-3,5-dione is sourced from PubChem (CID 66570651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).