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

C8H14O2 — CID 5364205

IUPAC(2E,4E)-1,6-dimethoxyhexa-2,4-diene
SMILESCOC/C=C/C=C/COC
InChIInChI=1S/C8H14O2/c1-9-7-5-3-4-6-8-10-2/h3-6H,7-8H2,1-2H3/b5-3+,6-4+
InChIKeyYALLCAMEYAILJE-GGWOSOGESA-N
MW142.20 g/mol
LogP1.39
Rot. Bonds5

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

(2E,4E)-1,6-dimethoxyhexa-2,4-diene (PubChem CID 5364205) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (2E,4E)-1,6-dimethoxyhexa-2,4-diene.

Molecular Properties

Compound Name(2E,4E)-1,6-dimethoxyhexa-2,4-diene
PubChem CID5364205
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(2E,4E)-1,6-dimethoxyhexa-2,4-diene
SMILESCOC/C=C/C=C/COC
InChIInChI=1S/C8H14O2/c1-9-7-5-3-4-6-8-10-2/h3-6H,7-8H2,1-2H3/b5-3+,6-4+
InChIKeyYALLCAMEYAILJE-GGWOSOGESA-N
XLogP1.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-1,6-dimethoxyhexa-2,4-diene?
The IUPAC name of (2E,4E)-1,6-dimethoxyhexa-2,4-diene (CID 5364205) is (2E,4E)-1,6-dimethoxyhexa-2,4-diene.
What is the SMILES notation for (2E,4E)-1,6-dimethoxyhexa-2,4-diene?
The canonical SMILES for (2E,4E)-1,6-dimethoxyhexa-2,4-diene is COC/C=C/C=C/COC.
What is the InChIKey of (2E,4E)-1,6-dimethoxyhexa-2,4-diene?
The InChIKey is YALLCAMEYAILJE-GGWOSOGESA-N. The full InChI is InChI=1S/C8H14O2/c1-9-7-5-3-4-6-8-10-2/h3-6H,7-8H2,1-2H3/b5-3+,6-4+.
What are the key properties of (2E,4E)-1,6-dimethoxyhexa-2,4-diene?
(2E,4E)-1,6-dimethoxyhexa-2,4-diene has a molecular weight of 142.20 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1,6-dimethoxyhexa-2,4-diene is sourced from PubChem (CID 5364205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).