1,3-dimethoxy-5-methyl-4-oxatricyclo[4.2.1.03,9]nonane

C11H18O3 — CID 118082183

IUPAC1,3-dimethoxy-5-methyl-4-oxatricyclo[4.2.1.03,9]nonane
SMILESCOC12CCC3C(C)OC(OC)(C1)C32
InChIInChI=1S/C11H18O3/c1-7-8-4-5-10(12-2)6-11(13-3,14-7)9(8)10/h7-9H,4-6H2,1-3H3
InChIKeyOQKHIYHVDUCSAH-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.56
Rot. Bonds2

About 1,3-dimethoxy-5-methyl-4-oxatricyclo[4.2.1.03,9]nonane

1,3-dimethoxy-5-methyl-4-oxatricyclo[4.2.1.03,9]nonane (PubChem CID 118082183) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 1,3-dimethoxy-5-methyl-4-oxatricyclo[4.2.1.03,9]nonane.

Molecular Properties

Compound Name1,3-dimethoxy-5-methyl-4-oxatricyclo[4.2.1.03,9]nonane
PubChem CID118082183
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name1,3-dimethoxy-5-methyl-4-oxatricyclo[4.2.1.03,9]nonane
SMILESCOC12CCC3C(C)OC(OC)(C1)C32
InChIInChI=1S/C11H18O3/c1-7-8-4-5-10(12-2)6-11(13-3,14-7)9(8)10/h7-9H,4-6H2,1-3H3
InChIKeyOQKHIYHVDUCSAH-UHFFFAOYSA-N
XLogP1.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,3-dimethoxy-5-methyl-4-oxatricyclo[4.2.1.03,9]nonane 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 1,3-dimethoxy-5-methyl-4-oxatricyclo[4.2.1.03,9]nonane?
The IUPAC name of 1,3-dimethoxy-5-methyl-4-oxatricyclo[4.2.1.03,9]nonane (CID 118082183) is 1,3-dimethoxy-5-methyl-4-oxatricyclo[4.2.1.03,9]nonane.
What is the SMILES notation for 1,3-dimethoxy-5-methyl-4-oxatricyclo[4.2.1.03,9]nonane?
The canonical SMILES for 1,3-dimethoxy-5-methyl-4-oxatricyclo[4.2.1.03,9]nonane is COC12CCC3C(C)OC(OC)(C1)C32.
What is the InChIKey of 1,3-dimethoxy-5-methyl-4-oxatricyclo[4.2.1.03,9]nonane?
The InChIKey is OQKHIYHVDUCSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-7-8-4-5-10(12-2)6-11(13-3,14-7)9(8)10/h7-9H,4-6H2,1-3H3.
What are the key properties of 1,3-dimethoxy-5-methyl-4-oxatricyclo[4.2.1.03,9]nonane?
1,3-dimethoxy-5-methyl-4-oxatricyclo[4.2.1.03,9]nonane has a molecular weight of 198.26 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-5-methyl-4-oxatricyclo[4.2.1.03,9]nonane is sourced from PubChem (CID 118082183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).