3,5-dichloropentanal

C5H8Cl2O — CID 18670684

IUPAC3,5-dichloropentanal
SMILESO=CCC(Cl)CCCl
InChIInChI=1S/C5H8Cl2O/c6-3-1-5(7)2-4-8/h4-5H,1-3H2
InChIKeyJMRHWBJCRBECDW-UHFFFAOYSA-N
MW155.02 g/mol
LogP1.81
Rot. Bonds4

About 3,5-dichloropentanal

3,5-dichloropentanal (PubChem CID 18670684) has the molecular formula C5H8Cl2O and a molecular weight of 155.02 g/mol. Its IUPAC name is 3,5-dichloropentanal.

Molecular Properties

Compound Name3,5-dichloropentanal
PubChem CID18670684
Molecular FormulaC5H8Cl2O
Molecular Weight155.02 g/mol
Exact Mass154.00
IUPAC Name3,5-dichloropentanal
SMILESO=CCC(Cl)CCCl
InChIInChI=1S/C5H8Cl2O/c6-3-1-5(7)2-4-8/h4-5H,1-3H2
InChIKeyJMRHWBJCRBECDW-UHFFFAOYSA-N
XLogP1.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.02
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,5-dichloropentanal with MolForge

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

Launch Full Analysis

Related Compounds

azane;3,3-dichloropropanal
CID 88605523
2-(2-chloroethyl)pentanal
CID 175205251
2-(2-chloroethyl)decanal
CID 175197412
4-chloro-2-iodobutanal
CID 19782770
azane;1,3-dichloropentadecane
CID 87123860
2,4-dichlorobutanal;sulfurous acid
CID 19787422
1,1,1,4,6-pentachlorohexane
CID 88785795
sodium;3-chloro-4-[2-(methylideneamino)hydrazinyl]butanal;hydride
CID 173348472
3-ethylhexanal
CID 15829179
1,3-dichloro-1-(1,3-dichloropropylsulfonyl)propane
CID 88796251
1,3-dichloro-1-nitrosopropane
CID 89269470
2-(6-chlorohexyl)dodecanal
CID 175197438

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloropentanal?
The IUPAC name of 3,5-dichloropentanal (CID 18670684) is 3,5-dichloropentanal.
What is the SMILES notation for 3,5-dichloropentanal?
The canonical SMILES for 3,5-dichloropentanal is O=CCC(Cl)CCCl.
What is the InChIKey of 3,5-dichloropentanal?
The InChIKey is JMRHWBJCRBECDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Cl2O/c6-3-1-5(7)2-4-8/h4-5H,1-3H2.
What are the key properties of 3,5-dichloropentanal?
3,5-dichloropentanal has a molecular weight of 155.02 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloropentanal is sourced from PubChem (CID 18670684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).