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

C5H5ClO — CID 11073389

IUPAC(2E)-penta-2,4-dienoyl chloride
SMILESC=C/C=C/C(=O)Cl
InChIInChI=1S/C5H5ClO/c1-2-3-4-5(6)7/h2-4H,1H2/b4-3+
InChIKeyJKSIUSSQWDHHKM-ONEGZZNKSA-N
MW116.55 g/mol
LogP1.49
Rot. Bonds2

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

(2E)-penta-2,4-dienoyl chloride (PubChem CID 11073389) has the molecular formula C5H5ClO and a molecular weight of 116.55 g/mol. Its IUPAC name is (2E)-penta-2,4-dienoyl chloride.

Molecular Properties

Compound Name(2E)-penta-2,4-dienoyl chloride
PubChem CID11073389
Molecular FormulaC5H5ClO
Molecular Weight116.55 g/mol
Exact Mass116.00
IUPAC Name(2E)-penta-2,4-dienoyl chloride
SMILESC=C/C=C/C(=O)Cl
InChIInChI=1S/C5H5ClO/c1-2-3-4-5(6)7/h2-4H,1H2/b4-3+
InChIKeyJKSIUSSQWDHHKM-ONEGZZNKSA-N
XLogP1.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.55
LogP ≤ 51.49
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)-penta-2,4-dienoyl chloride?
The IUPAC name of (2E)-penta-2,4-dienoyl chloride (CID 11073389) is (2E)-penta-2,4-dienoyl chloride.
What is the SMILES notation for (2E)-penta-2,4-dienoyl chloride?
The canonical SMILES for (2E)-penta-2,4-dienoyl chloride is C=C/C=C/C(=O)Cl.
What is the InChIKey of (2E)-penta-2,4-dienoyl chloride?
The InChIKey is JKSIUSSQWDHHKM-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H5ClO/c1-2-3-4-5(6)7/h2-4H,1H2/b4-3+.
What are the key properties of (2E)-penta-2,4-dienoyl chloride?
(2E)-penta-2,4-dienoyl chloride has a molecular weight of 116.55 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-penta-2,4-dienoyl chloride is sourced from PubChem (CID 11073389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).