(2E)-4-chloropenta-2,4-dienoyl chloride

C5H4Cl2O — CID 168894491

IUPAC(2E)-4-chloropenta-2,4-dienoyl chloride
SMILESC=C(Cl)/C=C/C(=O)Cl
InChIInChI=1S/C5H4Cl2O/c1-4(6)2-3-5(7)8/h2-3H,1H2/b3-2+
InChIKeyIWZNCAVCEZUSMF-NSCUHMNNSA-N
MW150.99 g/mol
LogP2.06
Rot. Bonds2

About (2E)-4-chloropenta-2,4-dienoyl chloride

(2E)-4-chloropenta-2,4-dienoyl chloride (PubChem CID 168894491) has the molecular formula C5H4Cl2O and a molecular weight of 150.99 g/mol. Its IUPAC name is (2E)-4-chloropenta-2,4-dienoyl chloride.

Molecular Properties

Compound Name(2E)-4-chloropenta-2,4-dienoyl chloride
PubChem CID168894491
Molecular FormulaC5H4Cl2O
Molecular Weight150.99 g/mol
Exact Mass149.96
IUPAC Name(2E)-4-chloropenta-2,4-dienoyl chloride
SMILESC=C(Cl)/C=C/C(=O)Cl
InChIInChI=1S/C5H4Cl2O/c1-4(6)2-3-5(7)8/h2-3H,1H2/b3-2+
InChIKeyIWZNCAVCEZUSMF-NSCUHMNNSA-N
XLogP2.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.99
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-4-chloropenta-2,4-dienoyl chloride?
The IUPAC name of (2E)-4-chloropenta-2,4-dienoyl chloride (CID 168894491) is (2E)-4-chloropenta-2,4-dienoyl chloride.
What is the SMILES notation for (2E)-4-chloropenta-2,4-dienoyl chloride?
The canonical SMILES for (2E)-4-chloropenta-2,4-dienoyl chloride is C=C(Cl)/C=C/C(=O)Cl.
What is the InChIKey of (2E)-4-chloropenta-2,4-dienoyl chloride?
The InChIKey is IWZNCAVCEZUSMF-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H4Cl2O/c1-4(6)2-3-5(7)8/h2-3H,1H2/b3-2+.
What are the key properties of (2E)-4-chloropenta-2,4-dienoyl chloride?
(2E)-4-chloropenta-2,4-dienoyl chloride has a molecular weight of 150.99 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-chloropenta-2,4-dienoyl chloride is sourced from PubChem (CID 168894491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).