3,6-dimethoxy-3,6-dimethylcyclohexa-1,4-diene

C10H16O2 — CID 592759

IUPAC3,6-dimethoxy-3,6-dimethylcyclohexa-1,4-diene
SMILESCOC1(C)C=CC(C)(OC)C=C1
InChIInChI=1S/C10H16O2/c1-9(11-3)5-7-10(2,12-4)8-6-9/h5-8H,1-4H3
InChIKeyTVEIJVCNJNXJOR-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.92
Rot. Bonds2

About 3,6-dimethoxy-3,6-dimethylcyclohexa-1,4-diene

3,6-dimethoxy-3,6-dimethylcyclohexa-1,4-diene (PubChem CID 592759) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3,6-dimethoxy-3,6-dimethylcyclohexa-1,4-diene.

Molecular Properties

Compound Name3,6-dimethoxy-3,6-dimethylcyclohexa-1,4-diene
PubChem CID592759
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3,6-dimethoxy-3,6-dimethylcyclohexa-1,4-diene
SMILESCOC1(C)C=CC(C)(OC)C=C1
InChIInChI=1S/C10H16O2/c1-9(11-3)5-7-10(2,12-4)8-6-9/h5-8H,1-4H3
InChIKeyTVEIJVCNJNXJOR-UHFFFAOYSA-N
XLogP1.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.92
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-dimethoxy-3,6-dimethylcyclohexa-1,4-diene?
The IUPAC name of 3,6-dimethoxy-3,6-dimethylcyclohexa-1,4-diene (CID 592759) is 3,6-dimethoxy-3,6-dimethylcyclohexa-1,4-diene.
What is the SMILES notation for 3,6-dimethoxy-3,6-dimethylcyclohexa-1,4-diene?
The canonical SMILES for 3,6-dimethoxy-3,6-dimethylcyclohexa-1,4-diene is COC1(C)C=CC(C)(OC)C=C1.
What is the InChIKey of 3,6-dimethoxy-3,6-dimethylcyclohexa-1,4-diene?
The InChIKey is TVEIJVCNJNXJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-9(11-3)5-7-10(2,12-4)8-6-9/h5-8H,1-4H3.
What are the key properties of 3,6-dimethoxy-3,6-dimethylcyclohexa-1,4-diene?
3,6-dimethoxy-3,6-dimethylcyclohexa-1,4-diene has a molecular weight of 168.24 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethoxy-3,6-dimethylcyclohexa-1,4-diene is sourced from PubChem (CID 592759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).