(2Z,4E)-2-chlorohexa-2,4-dienoic acid

C6H7ClO2 — CID 14647350

IUPAC(2Z,4E)-2-chlorohexa-2,4-dienoic acid
SMILESC/C=C/C=C(\Cl)C(=O)O
InChIInChI=1S/C6H7ClO2/c1-2-3-4-5(7)6(8)9/h2-4H,1H3,(H,8,9)/b3-2+,5-4-
InChIKeyZINGPVGWKVTAAC-IAROGAJJSA-N
MW146.57 g/mol
LogP1.77
Rot. Bonds2

About (2Z,4E)-2-chlorohexa-2,4-dienoic acid

(2Z,4E)-2-chlorohexa-2,4-dienoic acid (PubChem CID 14647350) has the molecular formula C6H7ClO2 and a molecular weight of 146.57 g/mol. Its IUPAC name is (2Z,4E)-2-chlorohexa-2,4-dienoic acid.

Molecular Properties

Compound Name(2Z,4E)-2-chlorohexa-2,4-dienoic acid
PubChem CID14647350
Molecular FormulaC6H7ClO2
Molecular Weight146.57 g/mol
Exact Mass146.01
IUPAC Name(2Z,4E)-2-chlorohexa-2,4-dienoic acid
SMILESC/C=C/C=C(\Cl)C(=O)O
InChIInChI=1S/C6H7ClO2/c1-2-3-4-5(7)6(8)9/h2-4H,1H3,(H,8,9)/b3-2+,5-4-
InChIKeyZINGPVGWKVTAAC-IAROGAJJSA-N
XLogP1.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.57
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 (2Z,4E)-2-chlorohexa-2,4-dienoic acid?
The IUPAC name of (2Z,4E)-2-chlorohexa-2,4-dienoic acid (CID 14647350) is (2Z,4E)-2-chlorohexa-2,4-dienoic acid.
What is the SMILES notation for (2Z,4E)-2-chlorohexa-2,4-dienoic acid?
The canonical SMILES for (2Z,4E)-2-chlorohexa-2,4-dienoic acid is C/C=C/C=C(\Cl)C(=O)O.
What is the InChIKey of (2Z,4E)-2-chlorohexa-2,4-dienoic acid?
The InChIKey is ZINGPVGWKVTAAC-IAROGAJJSA-N. The full InChI is InChI=1S/C6H7ClO2/c1-2-3-4-5(7)6(8)9/h2-4H,1H3,(H,8,9)/b3-2+,5-4-.
What are the key properties of (2Z,4E)-2-chlorohexa-2,4-dienoic acid?
(2Z,4E)-2-chlorohexa-2,4-dienoic acid has a molecular weight of 146.57 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-2-chlorohexa-2,4-dienoic acid is sourced from PubChem (CID 14647350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).