3-hydroxypentanedial

C5H8O3 — CID 15575778

IUPAC3-hydroxypentanedial
SMILESO=CCC(O)CC=O
InChIInChI=1S/C5H8O3/c6-3-1-5(8)2-4-7/h3-5,8H,1-2H2
InChIKeyUIVALZXFWDRKKE-UHFFFAOYSA-N
MW116.12 g/mol
LogP-0.47
Rot. Bonds4

About 3-hydroxypentanedial

3-hydroxypentanedial (PubChem CID 15575778) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is 3-hydroxypentanedial.

Molecular Properties

Compound Name3-hydroxypentanedial
PubChem CID15575778
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name3-hydroxypentanedial
SMILESO=CCC(O)CC=O
InChIInChI=1S/C5H8O3/c6-3-1-5(8)2-4-7/h3-5,8H,1-2H2
InChIKeyUIVALZXFWDRKKE-UHFFFAOYSA-N
XLogP-0.47
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
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 3-hydroxypentanedial?
The IUPAC name of 3-hydroxypentanedial (CID 15575778) is 3-hydroxypentanedial.
What is the SMILES notation for 3-hydroxypentanedial?
The canonical SMILES for 3-hydroxypentanedial is O=CCC(O)CC=O.
What is the InChIKey of 3-hydroxypentanedial?
The InChIKey is UIVALZXFWDRKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3/c6-3-1-5(8)2-4-7/h3-5,8H,1-2H2.
What are the key properties of 3-hydroxypentanedial?
3-hydroxypentanedial has a molecular weight of 116.12 g/mol, XLogP of -0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypentanedial is sourced from PubChem (CID 15575778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).