2,2,5-trichloropentanal

C5H7Cl3O — CID 2724839

IUPAC2,2,5-trichloropentanal
SMILESO=CC(Cl)(Cl)CCCCl
InChIInChI=1S/C5H7Cl3O/c6-3-1-2-5(7,8)4-9/h4H,1-3H2
InChIKeyUATQNOMDTDLLFD-UHFFFAOYSA-N
MW189.47 g/mol
LogP2.38
Rot. Bonds4

About 2,2,5-trichloropentanal

2,2,5-trichloropentanal (PubChem CID 2724839) has the molecular formula C5H7Cl3O and a molecular weight of 189.47 g/mol. Its IUPAC name is 2,2,5-trichloropentanal.

Molecular Properties

Compound Name2,2,5-trichloropentanal
PubChem CID2724839
Molecular FormulaC5H7Cl3O
Molecular Weight189.47 g/mol
Exact Mass187.96
IUPAC Name2,2,5-trichloropentanal
SMILESO=CC(Cl)(Cl)CCCCl
InChIInChI=1S/C5H7Cl3O/c6-3-1-2-5(7,8)4-9/h4H,1-3H2
InChIKeyUATQNOMDTDLLFD-UHFFFAOYSA-N
XLogP2.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.47
LogP ≤ 52.38
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'}

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Related Compounds

5-Chloropentanal
CID 643048
2,2-Dichloropentanal
CID 2724599
2,2,4-Trichlorobutanal
CID 2724845
2-Chloropentanal
CID 12592664
2-Chloropentanedial
CID 22743515
2,6-Dichlorohexanal
CID 22416682
(2R)-2-chloropentanal
CID 23729523
2,4-Dichloropentane-1,5-dione
CID 129738320
2,4-Dichlorobutanal
CID 18670627
3,5-Dichloropentanal
CID 18670684
5,5-Dichloropentanal
CID 19867400
2,3,4-Trichlorobutanal
CID 19899533

Frequently Asked Questions

What is the IUPAC name of 2,2,5-trichloropentanal?
The IUPAC name of 2,2,5-trichloropentanal (CID 2724839) is 2,2,5-trichloropentanal.
What is the SMILES notation for 2,2,5-trichloropentanal?
The canonical SMILES for 2,2,5-trichloropentanal is O=CC(Cl)(Cl)CCCCl.
What is the InChIKey of 2,2,5-trichloropentanal?
The InChIKey is UATQNOMDTDLLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7Cl3O/c6-3-1-2-5(7,8)4-9/h4H,1-3H2.
What are the key properties of 2,2,5-trichloropentanal?
2,2,5-trichloropentanal has a molecular weight of 189.47 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trichloropentanal is sourced from PubChem (CID 2724839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).