3,3,6,6-tetramethoxy-1-methylcyclohexa-1,4-diene

C11H18O4 — CID 10353189

IUPAC3,3,6,6-tetramethoxy-1-methylcyclohexa-1,4-diene
SMILESCOC1(OC)C=CC(OC)(OC)C(C)=C1
InChIInChI=1S/C11H18O4/c1-9-8-10(12-2,13-3)6-7-11(9,14-4)15-5/h6-8H,1-5H3
InChIKeyUZBJEZYGTBONOC-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.48
Rot. Bonds4

About 3,3,6,6-tetramethoxy-1-methylcyclohexa-1,4-diene

3,3,6,6-tetramethoxy-1-methylcyclohexa-1,4-diene (PubChem CID 10353189) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3,3,6,6-tetramethoxy-1-methylcyclohexa-1,4-diene.

Molecular Properties

Compound Name3,3,6,6-tetramethoxy-1-methylcyclohexa-1,4-diene
PubChem CID10353189
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name3,3,6,6-tetramethoxy-1-methylcyclohexa-1,4-diene
SMILESCOC1(OC)C=CC(OC)(OC)C(C)=C1
InChIInChI=1S/C11H18O4/c1-9-8-10(12-2,13-3)6-7-11(9,14-4)15-5/h6-8H,1-5H3
InChIKeyUZBJEZYGTBONOC-UHFFFAOYSA-N
XLogP1.48
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.48
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3,3,6,6-tetramethoxy-1-methylcyclohexa-1,4-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 3,3,6,6-tetramethoxy-1-methylcyclohexa-1,4-diene?
The IUPAC name of 3,3,6,6-tetramethoxy-1-methylcyclohexa-1,4-diene (CID 10353189) is 3,3,6,6-tetramethoxy-1-methylcyclohexa-1,4-diene.
What is the SMILES notation for 3,3,6,6-tetramethoxy-1-methylcyclohexa-1,4-diene?
The canonical SMILES for 3,3,6,6-tetramethoxy-1-methylcyclohexa-1,4-diene is COC1(OC)C=CC(OC)(OC)C(C)=C1.
What is the InChIKey of 3,3,6,6-tetramethoxy-1-methylcyclohexa-1,4-diene?
The InChIKey is UZBJEZYGTBONOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-9-8-10(12-2,13-3)6-7-11(9,14-4)15-5/h6-8H,1-5H3.
What are the key properties of 3,3,6,6-tetramethoxy-1-methylcyclohexa-1,4-diene?
3,3,6,6-tetramethoxy-1-methylcyclohexa-1,4-diene has a molecular weight of 214.26 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6,6-tetramethoxy-1-methylcyclohexa-1,4-diene is sourced from PubChem (CID 10353189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).