[(2E,4E)-hexa-2,4-dienyl] propanoate

C9H14O2 — CID 6386721

IUPAC[(2E,4E)-hexa-2,4-dienyl] propanoate
SMILESC/C=C/C=C/COC(=O)CC
InChIInChI=1S/C9H14O2/c1-3-5-6-7-8-11-9(10)4-2/h3,5-7H,4,8H2,1-2H3/b5-3+,7-6+
InChIKeyZVBREIRNEOXCKQ-TWTPFVCWSA-N
MW154.21 g/mol
LogP2.07
Rot. Bonds4

About [(2E,4E)-hexa-2,4-dienyl] propanoate

[(2E,4E)-hexa-2,4-dienyl] propanoate (PubChem CID 6386721) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is [(2E,4E)-hexa-2,4-dienyl] propanoate.

Molecular Properties

Compound Name[(2E,4E)-hexa-2,4-dienyl] propanoate
PubChem CID6386721
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name[(2E,4E)-hexa-2,4-dienyl] propanoate
SMILESC/C=C/C=C/COC(=O)CC
InChIInChI=1S/C9H14O2/c1-3-5-6-7-8-11-9(10)4-2/h3,5-7H,4,8H2,1-2H3/b5-3+,7-6+
InChIKeyZVBREIRNEOXCKQ-TWTPFVCWSA-N
XLogP2.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(2E,4E)-hexa-2,4-dienyl] propanoate 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 [(2E,4E)-hexa-2,4-dienyl] propanoate?
The IUPAC name of [(2E,4E)-hexa-2,4-dienyl] propanoate (CID 6386721) is [(2E,4E)-hexa-2,4-dienyl] propanoate.
What is the SMILES notation for [(2E,4E)-hexa-2,4-dienyl] propanoate?
The canonical SMILES for [(2E,4E)-hexa-2,4-dienyl] propanoate is C/C=C/C=C/COC(=O)CC.
What is the InChIKey of [(2E,4E)-hexa-2,4-dienyl] propanoate?
The InChIKey is ZVBREIRNEOXCKQ-TWTPFVCWSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-5-6-7-8-11-9(10)4-2/h3,5-7H,4,8H2,1-2H3/b5-3+,7-6+.
What are the key properties of [(2E,4E)-hexa-2,4-dienyl] propanoate?
[(2E,4E)-hexa-2,4-dienyl] propanoate has a molecular weight of 154.21 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4E)-hexa-2,4-dienyl] propanoate is sourced from PubChem (CID 6386721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).