5-chloropentanal

C5H9ClO — CID 643048

IUPAC5-chloropentanal
SMILESO=CCCCCCl
InChIInChI=1S/C5H9ClO/c6-4-2-1-3-5-7/h5H,1-4H2
InChIKeyZNLHWEDEIKEQDK-UHFFFAOYSA-N
MW120.58 g/mol
LogP1.59
Rot. Bonds4

About 5-chloropentanal

5-chloropentanal (PubChem CID 643048) has the molecular formula C5H9ClO and a molecular weight of 120.58 g/mol. Its IUPAC name is 5-chloropentanal.

Molecular Properties

Compound Name5-chloropentanal
PubChem CID643048
Molecular FormulaC5H9ClO
Molecular Weight120.58 g/mol
Exact Mass120.03
IUPAC Name5-chloropentanal
SMILESO=CCCCCCl
InChIInChI=1S/C5H9ClO/c6-4-2-1-3-5-7/h5H,1-4H2
InChIKeyZNLHWEDEIKEQDK-UHFFFAOYSA-N
XLogP1.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.58
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloropentanal?
The IUPAC name of 5-chloropentanal (CID 643048) is 5-chloropentanal.
What is the SMILES notation for 5-chloropentanal?
The canonical SMILES for 5-chloropentanal is O=CCCCCCl.
What is the InChIKey of 5-chloropentanal?
The InChIKey is ZNLHWEDEIKEQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClO/c6-4-2-1-3-5-7/h5H,1-4H2.
What are the key properties of 5-chloropentanal?
5-chloropentanal has a molecular weight of 120.58 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloropentanal is sourced from PubChem (CID 643048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).