(2E,3Z)-5-hydroxy-2-(2-hydroxyethylidene)hexa-3,5-dienoic acid

C8H10O4 — CID 171521730

IUPAC(2E,3Z)-5-hydroxy-2-(2-hydroxyethylidene)hexa-3,5-dienoic acid
SMILESC=C(O)/C=C\C(=C/CO)C(=O)O
InChIInChI=1S/C8H10O4/c1-6(10)2-3-7(4-5-9)8(11)12/h2-4,9-10H,1,5H2,(H,11,12)/b3-2-,7-4+
InChIKeyOOJUAJGCWKREBS-UDJLOATDSA-N
MW170.16 g/mol
LogP0.62
Rot. Bonds4

About (2E,3Z)-5-hydroxy-2-(2-hydroxyethylidene)hexa-3,5-dienoic acid

(2E,3Z)-5-hydroxy-2-(2-hydroxyethylidene)hexa-3,5-dienoic acid (PubChem CID 171521730) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is (2E,3Z)-5-hydroxy-2-(2-hydroxyethylidene)hexa-3,5-dienoic acid.

Molecular Properties

Compound Name(2E,3Z)-5-hydroxy-2-(2-hydroxyethylidene)hexa-3,5-dienoic acid
PubChem CID171521730
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name(2E,3Z)-5-hydroxy-2-(2-hydroxyethylidene)hexa-3,5-dienoic acid
SMILESC=C(O)/C=C\C(=C/CO)C(=O)O
InChIInChI=1S/C8H10O4/c1-6(10)2-3-7(4-5-9)8(11)12/h2-4,9-10H,1,5H2,(H,11,12)/b3-2-,7-4+
InChIKeyOOJUAJGCWKREBS-UDJLOATDSA-N
XLogP0.62
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.62
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'}

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-5-hydroxy-2-(2-hydroxyethylidene)hexa-3,5-dienoic acid?
The IUPAC name of (2E,3Z)-5-hydroxy-2-(2-hydroxyethylidene)hexa-3,5-dienoic acid (CID 171521730) is (2E,3Z)-5-hydroxy-2-(2-hydroxyethylidene)hexa-3,5-dienoic acid.
What is the SMILES notation for (2E,3Z)-5-hydroxy-2-(2-hydroxyethylidene)hexa-3,5-dienoic acid?
The canonical SMILES for (2E,3Z)-5-hydroxy-2-(2-hydroxyethylidene)hexa-3,5-dienoic acid is C=C(O)/C=C\C(=C/CO)C(=O)O.
What is the InChIKey of (2E,3Z)-5-hydroxy-2-(2-hydroxyethylidene)hexa-3,5-dienoic acid?
The InChIKey is OOJUAJGCWKREBS-UDJLOATDSA-N. The full InChI is InChI=1S/C8H10O4/c1-6(10)2-3-7(4-5-9)8(11)12/h2-4,9-10H,1,5H2,(H,11,12)/b3-2-,7-4+.
What are the key properties of (2E,3Z)-5-hydroxy-2-(2-hydroxyethylidene)hexa-3,5-dienoic acid?
(2E,3Z)-5-hydroxy-2-(2-hydroxyethylidene)hexa-3,5-dienoic acid has a molecular weight of 170.16 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-5-hydroxy-2-(2-hydroxyethylidene)hexa-3,5-dienoic acid is sourced from PubChem (CID 171521730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).