1-ethoxy-5,6-dimethoxy-5-methylcyclohexa-1,3-diene

C11H18O3 — CID 69493279

IUPAC1-ethoxy-5,6-dimethoxy-5-methylcyclohexa-1,3-diene
SMILESCCOC1=CC=CC(C)(OC)C1OC
InChIInChI=1S/C11H18O3/c1-5-14-9-7-6-8-11(2,13-4)10(9)12-3/h6-8,10H,5H2,1-4H3
InChIKeyFGYCPRYOFCDJJF-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.90
Rot. Bonds4

About 1-ethoxy-5,6-dimethoxy-5-methylcyclohexa-1,3-diene

1-ethoxy-5,6-dimethoxy-5-methylcyclohexa-1,3-diene (PubChem CID 69493279) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-ethoxy-5,6-dimethoxy-5-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-ethoxy-5,6-dimethoxy-5-methylcyclohexa-1,3-diene
PubChem CID69493279
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name1-ethoxy-5,6-dimethoxy-5-methylcyclohexa-1,3-diene
SMILESCCOC1=CC=CC(C)(OC)C1OC
InChIInChI=1S/C11H18O3/c1-5-14-9-7-6-8-11(2,13-4)10(9)12-3/h6-8,10H,5H2,1-4H3
InChIKeyFGYCPRYOFCDJJF-UHFFFAOYSA-N
XLogP1.90
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-5,6-dimethoxy-5-methylcyclohexa-1,3-diene?
The IUPAC name of 1-ethoxy-5,6-dimethoxy-5-methylcyclohexa-1,3-diene (CID 69493279) is 1-ethoxy-5,6-dimethoxy-5-methylcyclohexa-1,3-diene.
What is the SMILES notation for 1-ethoxy-5,6-dimethoxy-5-methylcyclohexa-1,3-diene?
The canonical SMILES for 1-ethoxy-5,6-dimethoxy-5-methylcyclohexa-1,3-diene is CCOC1=CC=CC(C)(OC)C1OC.
What is the InChIKey of 1-ethoxy-5,6-dimethoxy-5-methylcyclohexa-1,3-diene?
The InChIKey is FGYCPRYOFCDJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-5-14-9-7-6-8-11(2,13-4)10(9)12-3/h6-8,10H,5H2,1-4H3.
What are the key properties of 1-ethoxy-5,6-dimethoxy-5-methylcyclohexa-1,3-diene?
1-ethoxy-5,6-dimethoxy-5-methylcyclohexa-1,3-diene has a molecular weight of 198.26 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-5,6-dimethoxy-5-methylcyclohexa-1,3-diene is sourced from PubChem (CID 69493279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).