5-hydroxypentanethial

C5H10OS — CID 22228819

IUPAC5-hydroxypentanethial
SMILESOCCCCC=S
InChIInChI=1S/C5H10OS/c6-4-2-1-3-5-7/h5-6H,1-4H2
InChIKeyAGLFAOGAGNCLFR-UHFFFAOYSA-N
MW118.20 g/mol
LogP1.15
Rot. Bonds4

About 5-hydroxypentanethial

5-hydroxypentanethial (PubChem CID 22228819) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is 5-hydroxypentanethial.

Molecular Properties

Compound Name5-hydroxypentanethial
PubChem CID22228819
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name5-hydroxypentanethial
SMILESOCCCCC=S
InChIInChI=1S/C5H10OS/c6-4-2-1-3-5-7/h5-6H,1-4H2
InChIKeyAGLFAOGAGNCLFR-UHFFFAOYSA-N
XLogP1.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxypentanethial?
The IUPAC name of 5-hydroxypentanethial (CID 22228819) is 5-hydroxypentanethial.
What is the SMILES notation for 5-hydroxypentanethial?
The canonical SMILES for 5-hydroxypentanethial is OCCCCC=S.
What is the InChIKey of 5-hydroxypentanethial?
The InChIKey is AGLFAOGAGNCLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS/c6-4-2-1-3-5-7/h5-6H,1-4H2.
What are the key properties of 5-hydroxypentanethial?
5-hydroxypentanethial has a molecular weight of 118.20 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxypentanethial is sourced from PubChem (CID 22228819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).