4,5-dihydroxypentanal

C5H10O3 — CID 22172474

IUPAC4,5-dihydroxypentanal
SMILESO=CCCC(O)CO
InChIInChI=1S/C5H10O3/c6-3-1-2-5(8)4-7/h3,5,7-8H,1-2,4H2
InChIKeyLFRDGHVRPSURMV-UHFFFAOYSA-N
MW118.13 g/mol
LogP-0.68
Rot. Bonds4

About 4,5-dihydroxypentanal

4,5-dihydroxypentanal (PubChem CID 22172474) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is 4,5-dihydroxypentanal.

Molecular Properties

Compound Name4,5-dihydroxypentanal
PubChem CID22172474
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name4,5-dihydroxypentanal
SMILESO=CCCC(O)CO
InChIInChI=1S/C5H10O3/c6-3-1-2-5(8)4-7/h3,5,7-8H,1-2,4H2
InChIKeyLFRDGHVRPSURMV-UHFFFAOYSA-N
XLogP-0.68
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxypentanal?
The IUPAC name of 4,5-dihydroxypentanal (CID 22172474) is 4,5-dihydroxypentanal.
What is the SMILES notation for 4,5-dihydroxypentanal?
The canonical SMILES for 4,5-dihydroxypentanal is O=CCCC(O)CO.
What is the InChIKey of 4,5-dihydroxypentanal?
The InChIKey is LFRDGHVRPSURMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3/c6-3-1-2-5(8)4-7/h3,5,7-8H,1-2,4H2.
What are the key properties of 4,5-dihydroxypentanal?
4,5-dihydroxypentanal has a molecular weight of 118.13 g/mol, XLogP of -0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxypentanal is sourced from PubChem (CID 22172474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).