3-hydroxypentanal

C5H10O2 — CID 13311642

IUPAC3-hydroxypentanal
SMILESCCC(O)CC=O
InChIInChI=1S/C5H10O2/c1-2-5(7)3-4-6/h4-5,7H,2-3H2,1H3
InChIKeyWRWLNLBWBJEUPI-UHFFFAOYSA-N
MW102.13 g/mol
LogP0.35
Rot. Bonds3

About 3-hydroxypentanal

3-hydroxypentanal (PubChem CID 13311642) has the molecular formula C5H10O2 and a molecular weight of 102.13 g/mol. Its IUPAC name is 3-hydroxypentanal.

Molecular Properties

Compound Name3-hydroxypentanal
PubChem CID13311642
Molecular FormulaC5H10O2
Molecular Weight102.13 g/mol
Exact Mass102.07
IUPAC Name3-hydroxypentanal
SMILESCCC(O)CC=O
InChIInChI=1S/C5H10O2/c1-2-5(7)3-4-6/h4-5,7H,2-3H2,1H3
InChIKeyWRWLNLBWBJEUPI-UHFFFAOYSA-N
XLogP0.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.13
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-hydroxypentanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxypentanal?
The IUPAC name of 3-hydroxypentanal (CID 13311642) is 3-hydroxypentanal.
What is the SMILES notation for 3-hydroxypentanal?
The canonical SMILES for 3-hydroxypentanal is CCC(O)CC=O.
What is the InChIKey of 3-hydroxypentanal?
The InChIKey is WRWLNLBWBJEUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h4-5,7H,2-3H2,1H3.
What are the key properties of 3-hydroxypentanal?
3-hydroxypentanal has a molecular weight of 102.13 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypentanal is sourced from PubChem (CID 13311642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).