2,3-bis(acetylperoxy)butanedioic acid

C8H10O10 — CID 174892371

IUPAC2,3-bis(acetylperoxy)butanedioic acid
SMILESCC(=O)OOC(C(=O)O)C(OOC(C)=O)C(=O)O
InChIInChI=1S/C8H10O10/c1-3(9)15-17-5(7(11)12)6(8(13)14)18-16-4(2)10/h5-6H,1-2H3,(H,11,12)(H,13,14)
InChIKeyWNHGXUKYGFSYFM-UHFFFAOYSA-N
MW266.16 g/mol
LogP-1.12
Rot. Bonds7

About 2,3-bis(acetylperoxy)butanedioic acid

2,3-bis(acetylperoxy)butanedioic acid (PubChem CID 174892371) has the molecular formula C8H10O10 and a molecular weight of 266.16 g/mol. Its IUPAC name is 2,3-bis(acetylperoxy)butanedioic acid.

Molecular Properties

Compound Name2,3-bis(acetylperoxy)butanedioic acid
PubChem CID174892371
Molecular FormulaC8H10O10
Molecular Weight266.16 g/mol
Exact Mass266.03
IUPAC Name2,3-bis(acetylperoxy)butanedioic acid
SMILESCC(=O)OOC(C(=O)O)C(OOC(C)=O)C(=O)O
InChIInChI=1S/C8H10O10/c1-3(9)15-17-5(7(11)12)6(8(13)14)18-16-4(2)10/h5-6H,1-2H3,(H,11,12)(H,13,14)
InChIKeyWNHGXUKYGFSYFM-UHFFFAOYSA-N
XLogP-1.12
TPSA145.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.16
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-2,3-diacetyloxybutanedioic acid
CID 2060943
(2R,3R,4R,5S)-2,3,4,5-tetraacetyloxyhexanedioic acid
CID 99723141
acetyl ethaneperoxoate;rhodium
CID 175911498
acetyl ethaneperoxoate;propan-2-one
CID 21225532
acetyl ethaneperoxoate;ethane
CID 91004145
1-chloropropan-2-yl ethaneperoxoate
CID 87996667
[acetylperoxy(methylsilyloxy)methyl] ethaneperoxoate
CID 150183375
tetrakis(2-oxopropanoate);bis(propan-2-yl ethaneperoxoate);titanium(4+)
CID 159768300
(2R,3R)-2,3-diacetyloxy-4-methoxy-4-oxobutanoic acid
CID 2007459
4-acetylperoxy-2-hydroxy-4-oxobutanoic acid
CID 141191892
CID 142756508
CID 142756508
acetyloxyperoxy ethaneperoxoate
CID 171629895

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(acetylperoxy)butanedioic acid?
The IUPAC name of 2,3-bis(acetylperoxy)butanedioic acid (CID 174892371) is 2,3-bis(acetylperoxy)butanedioic acid.
What is the SMILES notation for 2,3-bis(acetylperoxy)butanedioic acid?
The canonical SMILES for 2,3-bis(acetylperoxy)butanedioic acid is CC(=O)OOC(C(=O)O)C(OOC(C)=O)C(=O)O.
What is the InChIKey of 2,3-bis(acetylperoxy)butanedioic acid?
The InChIKey is WNHGXUKYGFSYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O10/c1-3(9)15-17-5(7(11)12)6(8(13)14)18-16-4(2)10/h5-6H,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2,3-bis(acetylperoxy)butanedioic acid?
2,3-bis(acetylperoxy)butanedioic acid has a molecular weight of 266.16 g/mol, XLogP of -1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(acetylperoxy)butanedioic acid is sourced from PubChem (CID 174892371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).