(E)-hex-3-enedioic acid

C6H8O4 — CID 5351896

IUPAC(E)-hex-3-enedioic acid
SMILESO=C(O)C/C=C/CC(=O)O
InChIInChI=1S/C6H8O4/c7-5(8)3-1-2-4-6(9)10/h1-2H,3-4H2,(H,7,8)(H,9,10)/b2-1+
InChIKeyYHGNXQAFNHCBTK-OWOJBTEDSA-N
MW144.13 g/mol
LogP0.49
Rot. Bonds4

About (E)-hex-3-enedioic acid

(E)-hex-3-enedioic acid (PubChem CID 5351896) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is (E)-hex-3-enedioic acid.

Molecular Properties

Compound Name(E)-hex-3-enedioic acid
PubChem CID5351896
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name(E)-hex-3-enedioic acid
SMILESO=C(O)C/C=C/CC(=O)O
InChIInChI=1S/C6H8O4/c7-5(8)3-1-2-4-6(9)10/h1-2H,3-4H2,(H,7,8)(H,9,10)/b2-1+
InChIKeyYHGNXQAFNHCBTK-OWOJBTEDSA-N
XLogP0.49
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E)-hex-3-enedioic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-hex-3-enedioic acid?
The IUPAC name of (E)-hex-3-enedioic acid (CID 5351896) is (E)-hex-3-enedioic acid.
What is the SMILES notation for (E)-hex-3-enedioic acid?
The canonical SMILES for (E)-hex-3-enedioic acid is O=C(O)C/C=C/CC(=O)O.
What is the InChIKey of (E)-hex-3-enedioic acid?
The InChIKey is YHGNXQAFNHCBTK-OWOJBTEDSA-N. The full InChI is InChI=1S/C6H8O4/c7-5(8)3-1-2-4-6(9)10/h1-2H,3-4H2,(H,7,8)(H,9,10)/b2-1+.
What are the key properties of (E)-hex-3-enedioic acid?
(E)-hex-3-enedioic acid has a molecular weight of 144.13 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-hex-3-enedioic acid is sourced from PubChem (CID 5351896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).