3,5-dihydroxy-2-oxopentanal

C5H8O4 — CID 135331774

IUPAC3,5-dihydroxy-2-oxopentanal
SMILESO=CC(=O)C(O)CCO
InChIInChI=1S/C5H8O4/c6-2-1-4(8)5(9)3-7/h3-4,6,8H,1-2H2
InChIKeyACXWVDOVKJIXGS-UHFFFAOYSA-N
MW132.12 g/mol
LogP-1.50
Rot. Bonds4

About 3,5-dihydroxy-2-oxopentanal

3,5-dihydroxy-2-oxopentanal (PubChem CID 135331774) has the molecular formula C5H8O4 and a molecular weight of 132.12 g/mol. Its IUPAC name is 3,5-dihydroxy-2-oxopentanal.

Molecular Properties

Compound Name3,5-dihydroxy-2-oxopentanal
PubChem CID135331774
Molecular FormulaC5H8O4
Molecular Weight132.12 g/mol
Exact Mass132.04
IUPAC Name3,5-dihydroxy-2-oxopentanal
SMILESO=CC(=O)C(O)CCO
InChIInChI=1S/C5H8O4/c6-2-1-4(8)5(9)3-7/h3-4,6,8H,1-2H2
InChIKeyACXWVDOVKJIXGS-UHFFFAOYSA-N
XLogP-1.50
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 5-1.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-2-oxopentanal?
The IUPAC name of 3,5-dihydroxy-2-oxopentanal (CID 135331774) is 3,5-dihydroxy-2-oxopentanal.
What is the SMILES notation for 3,5-dihydroxy-2-oxopentanal?
The canonical SMILES for 3,5-dihydroxy-2-oxopentanal is O=CC(=O)C(O)CCO.
What is the InChIKey of 3,5-dihydroxy-2-oxopentanal?
The InChIKey is ACXWVDOVKJIXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O4/c6-2-1-4(8)5(9)3-7/h3-4,6,8H,1-2H2.
What are the key properties of 3,5-dihydroxy-2-oxopentanal?
3,5-dihydroxy-2-oxopentanal has a molecular weight of 132.12 g/mol, XLogP of -1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-2-oxopentanal is sourced from PubChem (CID 135331774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).