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

C6H7ClO — CID 5368941

IUPAC(2E,4E)-hexa-2,4-dienoyl chloride
SMILESC/C=C/C=C/C(=O)Cl
InChIInChI=1S/C6H7ClO/c1-2-3-4-5-6(7)8/h2-5H,1H3/b3-2+,5-4+
InChIKeyGRTWTVFDPBKQNU-MQQKCMAXSA-N
MW130.57 g/mol
LogP1.88
Rot. Bonds2

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

(2E,4E)-hexa-2,4-dienoyl chloride (PubChem CID 5368941) has the molecular formula C6H7ClO and a molecular weight of 130.57 g/mol. Its IUPAC name is (2E,4E)-hexa-2,4-dienoyl chloride.

Molecular Properties

Compound Name(2E,4E)-hexa-2,4-dienoyl chloride
PubChem CID5368941
Molecular FormulaC6H7ClO
Molecular Weight130.57 g/mol
Exact Mass130.02
IUPAC Name(2E,4E)-hexa-2,4-dienoyl chloride
SMILESC/C=C/C=C/C(=O)Cl
InChIInChI=1S/C6H7ClO/c1-2-3-4-5-6(7)8/h2-5H,1H3/b3-2+,5-4+
InChIKeyGRTWTVFDPBKQNU-MQQKCMAXSA-N
XLogP1.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.57
LogP ≤ 51.88
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,4E)-hexa-2,4-dienoyl chloride?
The IUPAC name of (2E,4E)-hexa-2,4-dienoyl chloride (CID 5368941) is (2E,4E)-hexa-2,4-dienoyl chloride.
What is the SMILES notation for (2E,4E)-hexa-2,4-dienoyl chloride?
The canonical SMILES for (2E,4E)-hexa-2,4-dienoyl chloride is C/C=C/C=C/C(=O)Cl.
What is the InChIKey of (2E,4E)-hexa-2,4-dienoyl chloride?
The InChIKey is GRTWTVFDPBKQNU-MQQKCMAXSA-N. The full InChI is InChI=1S/C6H7ClO/c1-2-3-4-5-6(7)8/h2-5H,1H3/b3-2+,5-4+.
What are the key properties of (2E,4E)-hexa-2,4-dienoyl chloride?
(2E,4E)-hexa-2,4-dienoyl chloride has a molecular weight of 130.57 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-hexa-2,4-dienoyl chloride is sourced from PubChem (CID 5368941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).