3,5-dimethoxy-4-oxatricyclo[5.2.2.02,6]undecan-8-ol

C12H20O4 — CID 2729494

IUPAC3,5-dimethoxy-4-oxatricyclo[5.2.2.02,6]undecan-8-ol
SMILESCOC1OC(OC)C2C3CCC(CC3O)C12
InChIInChI=1S/C12H20O4/c1-14-11-9-6-3-4-7(8(13)5-6)10(9)12(15-2)16-11/h6-13H,3-5H2,1-2H3
InChIKeyOFPQMMBHSPTACV-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.98
Rot. Bonds2

About 3,5-dimethoxy-4-oxatricyclo[5.2.2.02,6]undecan-8-ol

3,5-dimethoxy-4-oxatricyclo[5.2.2.02,6]undecan-8-ol (PubChem CID 2729494) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3,5-dimethoxy-4-oxatricyclo[5.2.2.02,6]undecan-8-ol.

Molecular Properties

Compound Name3,5-dimethoxy-4-oxatricyclo[5.2.2.02,6]undecan-8-ol
PubChem CID2729494
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name3,5-dimethoxy-4-oxatricyclo[5.2.2.02,6]undecan-8-ol
SMILESCOC1OC(OC)C2C3CCC(CC3O)C12
InChIInChI=1S/C12H20O4/c1-14-11-9-6-3-4-7(8(13)5-6)10(9)12(15-2)16-11/h6-13H,3-5H2,1-2H3
InChIKeyOFPQMMBHSPTACV-UHFFFAOYSA-N
XLogP0.98
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,5-dimethoxy-4-oxatricyclo[5.2.2.02,6]undecan-8-ol 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 3,5-dimethoxy-4-oxatricyclo[5.2.2.02,6]undecan-8-ol?
The IUPAC name of 3,5-dimethoxy-4-oxatricyclo[5.2.2.02,6]undecan-8-ol (CID 2729494) is 3,5-dimethoxy-4-oxatricyclo[5.2.2.02,6]undecan-8-ol.
What is the SMILES notation for 3,5-dimethoxy-4-oxatricyclo[5.2.2.02,6]undecan-8-ol?
The canonical SMILES for 3,5-dimethoxy-4-oxatricyclo[5.2.2.02,6]undecan-8-ol is COC1OC(OC)C2C3CCC(CC3O)C12.
What is the InChIKey of 3,5-dimethoxy-4-oxatricyclo[5.2.2.02,6]undecan-8-ol?
The InChIKey is OFPQMMBHSPTACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-14-11-9-6-3-4-7(8(13)5-6)10(9)12(15-2)16-11/h6-13H,3-5H2,1-2H3.
What are the key properties of 3,5-dimethoxy-4-oxatricyclo[5.2.2.02,6]undecan-8-ol?
3,5-dimethoxy-4-oxatricyclo[5.2.2.02,6]undecan-8-ol has a molecular weight of 228.29 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-4-oxatricyclo[5.2.2.02,6]undecan-8-ol is sourced from PubChem (CID 2729494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).