3,6-dimethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3-diene

C12H16O3 — CID 144634361

IUPAC3,6-dimethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3-diene
SMILESCOC1=CCC(OC)C2=C1C1CCC2O1
InChIInChI=1S/C12H16O3/c1-13-7-3-4-8(14-2)12-10-6-5-9(15-10)11(7)12/h3,8-10H,4-6H2,1-2H3
InChIKeyKTELXJWHALRWFB-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.79
Rot. Bonds2

About 3,6-dimethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3-diene

3,6-dimethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3-diene (PubChem CID 144634361) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3,6-dimethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3-diene.

Molecular Properties

Compound Name3,6-dimethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3-diene
PubChem CID144634361
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name3,6-dimethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3-diene
SMILESCOC1=CCC(OC)C2=C1C1CCC2O1
InChIInChI=1S/C12H16O3/c1-13-7-3-4-8(14-2)12-10-6-5-9(15-10)11(7)12/h3,8-10H,4-6H2,1-2H3
InChIKeyKTELXJWHALRWFB-UHFFFAOYSA-N
XLogP1.79
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,6-dimethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3-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 3,6-dimethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3-diene?
The IUPAC name of 3,6-dimethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3-diene (CID 144634361) is 3,6-dimethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3-diene.
What is the SMILES notation for 3,6-dimethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3-diene?
The canonical SMILES for 3,6-dimethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3-diene is COC1=CCC(OC)C2=C1C1CCC2O1.
What is the InChIKey of 3,6-dimethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3-diene?
The InChIKey is KTELXJWHALRWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-13-7-3-4-8(14-2)12-10-6-5-9(15-10)11(7)12/h3,8-10H,4-6H2,1-2H3.
What are the key properties of 3,6-dimethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3-diene?
3,6-dimethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3-diene has a molecular weight of 208.26 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3-diene is sourced from PubChem (CID 144634361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).