ethanol;oxalic acid

C6H14O6 — CID 172820699

IUPACethanol;oxalic acid
SMILESCCO.CCO.O=C(O)C(=O)O
InChIInChI=1S/C2H2O4.2C2H6O/c3-1(4)2(5)6;2*1-2-3/h(H,3,4)(H,5,6);2*3H,2H2,1H3
InChIKeyUEKPMWNWCGFEOF-UHFFFAOYSA-N
MW182.17 g/mol
LogP-0.85
Rot. Bonds

About ethanol;oxalic acid

ethanol;oxalic acid (PubChem CID 172820699) has the molecular formula C6H14O6 and a molecular weight of 182.17 g/mol. Its IUPAC name is ethanol;oxalic acid.

Molecular Properties

Compound Nameethanol;oxalic acid
PubChem CID172820699
Molecular FormulaC6H14O6
Molecular Weight182.17 g/mol
Exact Mass182.08
IUPAC Nameethanol;oxalic acid
SMILESCCO.CCO.O=C(O)C(=O)O
InChIInChI=1S/C2H2O4.2C2H6O/c3-1(4)2(5)6;2*1-2-3/h(H,3,4)(H,5,6);2*3H,2H2,1H3
InChIKeyUEKPMWNWCGFEOF-UHFFFAOYSA-N
XLogP-0.85
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 5-0.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethanol;oxalic acid 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

ethanol;bis(2-oxopropanoic acid)
CID 159682391
azane;carbonic acid;ethanol
CID 173096974
ethane-1,2-diol;oxalic acid
CID 87112589
oxalic acid;pentane
CID 158926498
ethanol;methanol;2-methylprop-2-enoic acid;titanium
CID 174721587
butanedioic acid;ethanol;2-oxopropanoic acid
CID 159309447
bis(N,N-diethylethanamine);oxalic acid
CID 71339505
carboxy hydrogen carbonate;ethanol
CID 175149724
oxalic acid;bis(propan-1-amine)
CID 173398819
icosane;oxalic acid
CID 175691290
oxalic acid;tetraethylazanium
CID 24888116
azane;butanedioic acid;ethanol
CID 87975822

Frequently Asked Questions

What is the IUPAC name of ethanol;oxalic acid?
The IUPAC name of ethanol;oxalic acid (CID 172820699) is ethanol;oxalic acid.
What is the SMILES notation for ethanol;oxalic acid?
The canonical SMILES for ethanol;oxalic acid is CCO.CCO.O=C(O)C(=O)O.
What is the InChIKey of ethanol;oxalic acid?
The InChIKey is UEKPMWNWCGFEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O4.2C2H6O/c3-1(4)2(5)6;2*1-2-3/h(H,3,4)(H,5,6);2*3H,2H2,1H3.
What are the key properties of ethanol;oxalic acid?
ethanol;oxalic acid has a molecular weight of 182.17 g/mol, XLogP of -0.85, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;oxalic acid is sourced from PubChem (CID 172820699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).