2,5-dimethoxyhexa-2,4-diene

C8H14O2 — CID 91162841

IUPAC2,5-dimethoxyhexa-2,4-diene
SMILESCOC(C)=CC=C(C)OC
InChIInChI=1S/C8H14O2/c1-7(9-3)5-6-8(2)10-4/h5-6H,1-4H3
InChIKeyJVOVFFLMWVPPBD-UHFFFAOYSA-N
MW142.20 g/mol
LogP2.09
Rot. Bonds3

About 2,5-dimethoxyhexa-2,4-diene

2,5-dimethoxyhexa-2,4-diene (PubChem CID 91162841) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2,5-dimethoxyhexa-2,4-diene.

Molecular Properties

Compound Name2,5-dimethoxyhexa-2,4-diene
PubChem CID91162841
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2,5-dimethoxyhexa-2,4-diene
SMILESCOC(C)=CC=C(C)OC
InChIInChI=1S/C8H14O2/c1-7(9-3)5-6-8(2)10-4/h5-6H,1-4H3
InChIKeyJVOVFFLMWVPPBD-UHFFFAOYSA-N
XLogP2.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxyhexa-2,4-diene?
The IUPAC name of 2,5-dimethoxyhexa-2,4-diene (CID 91162841) is 2,5-dimethoxyhexa-2,4-diene.
What is the SMILES notation for 2,5-dimethoxyhexa-2,4-diene?
The canonical SMILES for 2,5-dimethoxyhexa-2,4-diene is COC(C)=CC=C(C)OC.
What is the InChIKey of 2,5-dimethoxyhexa-2,4-diene?
The InChIKey is JVOVFFLMWVPPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-7(9-3)5-6-8(2)10-4/h5-6H,1-4H3.
What are the key properties of 2,5-dimethoxyhexa-2,4-diene?
2,5-dimethoxyhexa-2,4-diene has a molecular weight of 142.20 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxyhexa-2,4-diene is sourced from PubChem (CID 91162841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).