3,6-dimethoxyhexa-1,4-diene

C8H14O2 — CID 173199607

IUPAC3,6-dimethoxyhexa-1,4-diene
SMILESC=CC(C=CCOC)OC
InChIInChI=1S/C8H14O2/c1-4-8(10-3)6-5-7-9-2/h4-6,8H,1,7H2,2-3H3
InChIKeyITZMFDVGCURYEC-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.39
Rot. Bonds5

About 3,6-dimethoxyhexa-1,4-diene

3,6-dimethoxyhexa-1,4-diene (PubChem CID 173199607) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3,6-dimethoxyhexa-1,4-diene.

Molecular Properties

Compound Name3,6-dimethoxyhexa-1,4-diene
PubChem CID173199607
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3,6-dimethoxyhexa-1,4-diene
SMILESC=CC(C=CCOC)OC
InChIInChI=1S/C8H14O2/c1-4-8(10-3)6-5-7-9-2/h4-6,8H,1,7H2,2-3H3
InChIKeyITZMFDVGCURYEC-UHFFFAOYSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethoxyhexa-1,4-diene?
The IUPAC name of 3,6-dimethoxyhexa-1,4-diene (CID 173199607) is 3,6-dimethoxyhexa-1,4-diene.
What is the SMILES notation for 3,6-dimethoxyhexa-1,4-diene?
The canonical SMILES for 3,6-dimethoxyhexa-1,4-diene is C=CC(C=CCOC)OC.
What is the InChIKey of 3,6-dimethoxyhexa-1,4-diene?
The InChIKey is ITZMFDVGCURYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-4-8(10-3)6-5-7-9-2/h4-6,8H,1,7H2,2-3H3.
What are the key properties of 3,6-dimethoxyhexa-1,4-diene?
3,6-dimethoxyhexa-1,4-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 3,6-dimethoxyhexa-1,4-diene is sourced from PubChem (CID 173199607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).