2,4-dihydroxybutaneperoxoic acid

C4H8O5 — CID 175057595

IUPAC2,4-dihydroxybutaneperoxoic acid
SMILESO=C(OO)C(O)CCO
InChIInChI=1S/C4H8O5/c5-2-1-3(6)4(7)9-8/h3,5-6,8H,1-2H2
InChIKeySAVJJQFYFPVKTL-UHFFFAOYSA-N
MW136.10 g/mol
LogP-1.25
Rot. Bonds3

About 2,4-dihydroxybutaneperoxoic acid

2,4-dihydroxybutaneperoxoic acid (PubChem CID 175057595) has the molecular formula C4H8O5 and a molecular weight of 136.10 g/mol. Its IUPAC name is 2,4-dihydroxybutaneperoxoic acid.

Molecular Properties

Compound Name2,4-dihydroxybutaneperoxoic acid
PubChem CID175057595
Molecular FormulaC4H8O5
Molecular Weight136.10 g/mol
Exact Mass136.04
IUPAC Name2,4-dihydroxybutaneperoxoic acid
SMILESO=C(OO)C(O)CCO
InChIInChI=1S/C4H8O5/c5-2-1-3(6)4(7)9-8/h3,5-6,8H,1-2H2
InChIKeySAVJJQFYFPVKTL-UHFFFAOYSA-N
XLogP-1.25
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.10
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

2-hydroxyethyl 2-(aminomethyl)-4-hydroxybutanoate
CID 87228341
3,5-dihydroxy-2-oxopentanal
CID 135331774
2-hydroxyethyl (2R)-2-hydroxypropanoate
CID 14273570
propane-1,1,3-triol;urea
CID 174547822
alumane;2,2-dihydroxyethaneperoxoic acid
CID 175278536
2,4-dihydroxybutanoic acid;3-hydroxybutanoic acid
CID 174846249
potassium;hydride;1-O-(2-hydroxyethyl) 4-O-stibanyl 2,3-dihydroxybutanedioate
CID 174945582
4-hydroxybutyl 2,3-dihydroxypropanoate
CID 141224989
2-ethylpentaneperoxoic acid
CID 178072085
sodium;hydride;2-hydroxyethyl (2S)-2-aminopropanoate
CID 174523367
(2R,3R)-1,2,3,5,7-pentahydroxyheptan-4-one
CID 56630304
2-hydroxyethyl acetate;propane-1,2-diol
CID 158780453

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxybutaneperoxoic acid?
The IUPAC name of 2,4-dihydroxybutaneperoxoic acid (CID 175057595) is 2,4-dihydroxybutaneperoxoic acid.
What is the SMILES notation for 2,4-dihydroxybutaneperoxoic acid?
The canonical SMILES for 2,4-dihydroxybutaneperoxoic acid is O=C(OO)C(O)CCO.
What is the InChIKey of 2,4-dihydroxybutaneperoxoic acid?
The InChIKey is SAVJJQFYFPVKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O5/c5-2-1-3(6)4(7)9-8/h3,5-6,8H,1-2H2.
What are the key properties of 2,4-dihydroxybutaneperoxoic acid?
2,4-dihydroxybutaneperoxoic acid has a molecular weight of 136.10 g/mol, XLogP of -1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxybutaneperoxoic acid is sourced from PubChem (CID 175057595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).