2,3-dihydroperoxybutanedioic acid

C4H6O8 — CID 22714827

IUPAC2,3-dihydroperoxybutanedioic acid
SMILESO=C(O)C(OO)C(OO)C(=O)O
InChIInChI=1S/C4H6O8/c5-3(6)1(11-9)2(12-10)4(7)8/h1-2,9-10H,(H,5,6)(H,7,8)
InChIKeyCVKNOSPZPWFPFV-UHFFFAOYSA-N
MW182.08 g/mol
LogP-1.13
Rot. Bonds5

About 2,3-dihydroperoxybutanedioic acid

2,3-dihydroperoxybutanedioic acid (PubChem CID 22714827) has the molecular formula C4H6O8 and a molecular weight of 182.08 g/mol. Its IUPAC name is 2,3-dihydroperoxybutanedioic acid.

Molecular Properties

Compound Name2,3-dihydroperoxybutanedioic acid
PubChem CID22714827
Molecular FormulaC4H6O8
Molecular Weight182.08 g/mol
Exact Mass182.01
IUPAC Name2,3-dihydroperoxybutanedioic acid
SMILESO=C(O)C(OO)C(OO)C(=O)O
InChIInChI=1S/C4H6O8/c5-3(6)1(11-9)2(12-10)4(7)8/h1-2,9-10H,(H,5,6)(H,7,8)
InChIKeyCVKNOSPZPWFPFV-UHFFFAOYSA-N
XLogP-1.13
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.08
LogP ≤ 5-1.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroperoxybutanedioic acid?
The IUPAC name of 2,3-dihydroperoxybutanedioic acid (CID 22714827) is 2,3-dihydroperoxybutanedioic acid.
What is the SMILES notation for 2,3-dihydroperoxybutanedioic acid?
The canonical SMILES for 2,3-dihydroperoxybutanedioic acid is O=C(O)C(OO)C(OO)C(=O)O.
What is the InChIKey of 2,3-dihydroperoxybutanedioic acid?
The InChIKey is CVKNOSPZPWFPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O8/c5-3(6)1(11-9)2(12-10)4(7)8/h1-2,9-10H,(H,5,6)(H,7,8).
What are the key properties of 2,3-dihydroperoxybutanedioic acid?
2,3-dihydroperoxybutanedioic acid has a molecular weight of 182.08 g/mol, XLogP of -1.13, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroperoxybutanedioic acid is sourced from PubChem (CID 22714827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).