diethyl (2E,4E)-hexa-2,4-dienedioate

C10H14O4 — CID 5369089

IUPACdiethyl (2E,4E)-hexa-2,4-dienedioate
SMILESCCOC(=O)/C=C/C=C/C(=O)OCC
InChIInChI=1S/C10H14O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h5-8H,3-4H2,1-2H3/b7-5+,8-6+
InChIKeyVHIYCPCXACHVJM-KQQUZDAGSA-N
MW198.22 g/mol
LogP1.23
Rot. Bonds5

About diethyl (2E,4E)-hexa-2,4-dienedioate

diethyl (2E,4E)-hexa-2,4-dienedioate (PubChem CID 5369089) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is diethyl (2E,4E)-hexa-2,4-dienedioate.

Molecular Properties

Compound Namediethyl (2E,4E)-hexa-2,4-dienedioate
PubChem CID5369089
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Namediethyl (2E,4E)-hexa-2,4-dienedioate
SMILESCCOC(=O)/C=C/C=C/C(=O)OCC
InChIInChI=1S/C10H14O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h5-8H,3-4H2,1-2H3/b7-5+,8-6+
InChIKeyVHIYCPCXACHVJM-KQQUZDAGSA-N
XLogP1.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze diethyl (2E,4E)-hexa-2,4-dienedioate 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 diethyl (2E,4E)-hexa-2,4-dienedioate?
The IUPAC name of diethyl (2E,4E)-hexa-2,4-dienedioate (CID 5369089) is diethyl (2E,4E)-hexa-2,4-dienedioate.
What is the SMILES notation for diethyl (2E,4E)-hexa-2,4-dienedioate?
The canonical SMILES for diethyl (2E,4E)-hexa-2,4-dienedioate is CCOC(=O)/C=C/C=C/C(=O)OCC.
What is the InChIKey of diethyl (2E,4E)-hexa-2,4-dienedioate?
The InChIKey is VHIYCPCXACHVJM-KQQUZDAGSA-N. The full InChI is InChI=1S/C10H14O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h5-8H,3-4H2,1-2H3/b7-5+,8-6+.
What are the key properties of diethyl (2E,4E)-hexa-2,4-dienedioate?
diethyl (2E,4E)-hexa-2,4-dienedioate has a molecular weight of 198.22 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2E,4E)-hexa-2,4-dienedioate is sourced from PubChem (CID 5369089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).