(2E,4E)-1,1,6,6-tetraethoxyhexa-2,4-diene

C14H26O4 — CID 6437313

IUPAC(2E,4E)-1,1,6,6-tetraethoxyhexa-2,4-diene
SMILESCCOC(/C=C/C=C/C(OCC)OCC)OCC
InChIInChI=1S/C14H26O4/c1-5-15-13(16-6-2)11-9-10-12-14(17-7-3)18-8-4/h9-14H,5-8H2,1-4H3/b11-9+,12-10+
InChIKeyACPZXXNPYPSAKR-WGDLNXRISA-N
MW258.36 g/mol
LogP2.90
Rot. Bonds11

About (2E,4E)-1,1,6,6-tetraethoxyhexa-2,4-diene

(2E,4E)-1,1,6,6-tetraethoxyhexa-2,4-diene (PubChem CID 6437313) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is (2E,4E)-1,1,6,6-tetraethoxyhexa-2,4-diene.

Molecular Properties

Compound Name(2E,4E)-1,1,6,6-tetraethoxyhexa-2,4-diene
PubChem CID6437313
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name(2E,4E)-1,1,6,6-tetraethoxyhexa-2,4-diene
SMILESCCOC(/C=C/C=C/C(OCC)OCC)OCC
InChIInChI=1S/C14H26O4/c1-5-15-13(16-6-2)11-9-10-12-14(17-7-3)18-8-4/h9-14H,5-8H2,1-4H3/b11-9+,12-10+
InChIKeyACPZXXNPYPSAKR-WGDLNXRISA-N
XLogP2.90
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E)-1,1,6,6-tetraethoxyhexa-2,4-diene 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)-1,1,6,6-tetraethoxyhexa-2,4-diene?
The IUPAC name of (2E,4E)-1,1,6,6-tetraethoxyhexa-2,4-diene (CID 6437313) is (2E,4E)-1,1,6,6-tetraethoxyhexa-2,4-diene.
What is the SMILES notation for (2E,4E)-1,1,6,6-tetraethoxyhexa-2,4-diene?
The canonical SMILES for (2E,4E)-1,1,6,6-tetraethoxyhexa-2,4-diene is CCOC(/C=C/C=C/C(OCC)OCC)OCC.
What is the InChIKey of (2E,4E)-1,1,6,6-tetraethoxyhexa-2,4-diene?
The InChIKey is ACPZXXNPYPSAKR-WGDLNXRISA-N. The full InChI is InChI=1S/C14H26O4/c1-5-15-13(16-6-2)11-9-10-12-14(17-7-3)18-8-4/h9-14H,5-8H2,1-4H3/b11-9+,12-10+.
What are the key properties of (2E,4E)-1,1,6,6-tetraethoxyhexa-2,4-diene?
(2E,4E)-1,1,6,6-tetraethoxyhexa-2,4-diene has a molecular weight of 258.36 g/mol, XLogP of 2.90, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1,1,6,6-tetraethoxyhexa-2,4-diene is sourced from PubChem (CID 6437313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).