(2Z,4Z)-2-chloro-3-hydroxyhexa-2,4-dienedioic acid

C6H5ClO5 — CID 126961002

IUPAC(2Z,4Z)-2-chloro-3-hydroxyhexa-2,4-dienedioic acid
SMILESO=C(O)/C=C\C(O)=C(\Cl)C(=O)O
InChIInChI=1S/C6H5ClO5/c7-5(6(11)12)3(8)1-2-4(9)10/h1-2,8H,(H,9,10)(H,11,12)/b2-1-,5-3-
InChIKeyKHWHQPFTGLTZEN-NWJCXACMSA-N
MW192.55 g/mol
LogP0.72
Rot. Bonds3

About (2Z,4Z)-2-chloro-3-hydroxyhexa-2,4-dienedioic acid

(2Z,4Z)-2-chloro-3-hydroxyhexa-2,4-dienedioic acid (PubChem CID 126961002) has the molecular formula C6H5ClO5 and a molecular weight of 192.55 g/mol. Its IUPAC name is (2Z,4Z)-2-chloro-3-hydroxyhexa-2,4-dienedioic acid.

Molecular Properties

Compound Name(2Z,4Z)-2-chloro-3-hydroxyhexa-2,4-dienedioic acid
PubChem CID126961002
Molecular FormulaC6H5ClO5
Molecular Weight192.55 g/mol
Exact Mass191.98
IUPAC Name(2Z,4Z)-2-chloro-3-hydroxyhexa-2,4-dienedioic acid
SMILESO=C(O)/C=C\C(O)=C(\Cl)C(=O)O
InChIInChI=1S/C6H5ClO5/c7-5(6(11)12)3(8)1-2-4(9)10/h1-2,8H,(H,9,10)(H,11,12)/b2-1-,5-3-
InChIKeyKHWHQPFTGLTZEN-NWJCXACMSA-N
XLogP0.72
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.55
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4Z)-2-chloro-3-hydroxyhexa-2,4-dienedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E)-5,5-dichloro-4-hydroxypenta-2,4-dienoic acid
CID 20537323
(Z)-but-2-enedioic acid;oxalic acid
CID 87375640
(E)-but-2-enedioic acid;oxalic acid
CID 159788115
(E)-but-2-enedioic acid;molecular chlorine
CID 170566018
4-chlorohexa-2,4-dienoic acid
CID 3024913
heptadecakis((E)-but-2-enedioic acid);oxalic acid;hexahydrochloride
CID 174434275
(Z)-but-2-enedioic acid;neodymium
CID 87072249
(Z)-but-2-enedioic acid;silver
CID 11002022
(Z)-but-2-enedioic acid;copper(1+)
CID 139263227
(E)-but-2-enedioic acid;iron
CID 5478817
CID 87073039
CID 87073039
(Z)-but-2-enedioic acid;nickel
CID 24883656

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-2-chloro-3-hydroxyhexa-2,4-dienedioic acid?
The IUPAC name of (2Z,4Z)-2-chloro-3-hydroxyhexa-2,4-dienedioic acid (CID 126961002) is (2Z,4Z)-2-chloro-3-hydroxyhexa-2,4-dienedioic acid.
What is the SMILES notation for (2Z,4Z)-2-chloro-3-hydroxyhexa-2,4-dienedioic acid?
The canonical SMILES for (2Z,4Z)-2-chloro-3-hydroxyhexa-2,4-dienedioic acid is O=C(O)/C=C\C(O)=C(\Cl)C(=O)O.
What is the InChIKey of (2Z,4Z)-2-chloro-3-hydroxyhexa-2,4-dienedioic acid?
The InChIKey is KHWHQPFTGLTZEN-NWJCXACMSA-N. The full InChI is InChI=1S/C6H5ClO5/c7-5(6(11)12)3(8)1-2-4(9)10/h1-2,8H,(H,9,10)(H,11,12)/b2-1-,5-3-.
What are the key properties of (2Z,4Z)-2-chloro-3-hydroxyhexa-2,4-dienedioic acid?
(2Z,4Z)-2-chloro-3-hydroxyhexa-2,4-dienedioic acid has a molecular weight of 192.55 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-2-chloro-3-hydroxyhexa-2,4-dienedioic acid is sourced from PubChem (CID 126961002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).