(E)-4,5-dichloropent-2-enal

C5H6Cl2O — CID 10678435

IUPAC(E)-4,5-dichloropent-2-enal
SMILESO=C/C=C/C(Cl)CCl
InChIInChI=1S/C5H6Cl2O/c6-4-5(7)2-1-3-8/h1-3,5H,4H2/b2-1+
InChIKeyQFRJJGLSEBMDIR-OWOJBTEDSA-N
MW153.01 g/mol
LogP1.59
Rot. Bonds3

About (E)-4,5-dichloropent-2-enal

(E)-4,5-dichloropent-2-enal (PubChem CID 10678435) has the molecular formula C5H6Cl2O and a molecular weight of 153.01 g/mol. Its IUPAC name is (E)-4,5-dichloropent-2-enal.

Molecular Properties

Compound Name(E)-4,5-dichloropent-2-enal
PubChem CID10678435
Molecular FormulaC5H6Cl2O
Molecular Weight153.01 g/mol
Exact Mass151.98
IUPAC Name(E)-4,5-dichloropent-2-enal
SMILESO=C/C=C/C(Cl)CCl
InChIInChI=1S/C5H6Cl2O/c6-4-5(7)2-1-3-8/h1-3,5H,4H2/b2-1+
InChIKeyQFRJJGLSEBMDIR-OWOJBTEDSA-N
XLogP1.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.01
LogP ≤ 51.59
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4,5-dichloropent-2-enal?
The IUPAC name of (E)-4,5-dichloropent-2-enal (CID 10678435) is (E)-4,5-dichloropent-2-enal.
What is the SMILES notation for (E)-4,5-dichloropent-2-enal?
The canonical SMILES for (E)-4,5-dichloropent-2-enal is O=C/C=C/C(Cl)CCl.
What is the InChIKey of (E)-4,5-dichloropent-2-enal?
The InChIKey is QFRJJGLSEBMDIR-OWOJBTEDSA-N. The full InChI is InChI=1S/C5H6Cl2O/c6-4-5(7)2-1-3-8/h1-3,5H,4H2/b2-1+.
What are the key properties of (E)-4,5-dichloropent-2-enal?
(E)-4,5-dichloropent-2-enal has a molecular weight of 153.01 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,5-dichloropent-2-enal is sourced from PubChem (CID 10678435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).