8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyl-4-oxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate

C23H36O5 — CID 20771730

IUPAC8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyl-4-oxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate
SMILESCCC1OC(CC)C2C3CC(C(C(=O)OC)C3C(=O)OC3(CC)CCCC3)C12
InChIInChI=1S/C23H36O5/c1-5-15-17-13-12-14(18(17)16(6-2)27-15)20(19(13)21(24)26-4)22(25)28-23(7-3)10-8-9-11-23/h13-20H,5-12H2,1-4H3
InChIKeyKRMWJGANJRJRIT-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.13
Rot. Bonds6

About 8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyl-4-oxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate

8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyl-4-oxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate (PubChem CID 20771730) has the molecular formula C23H36O5 and a molecular weight of 392.54 g/mol. Its IUPAC name is 8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyl-4-oxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate.

Molecular Properties

Compound Name8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyl-4-oxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate
PubChem CID20771730
Molecular FormulaC23H36O5
Molecular Weight392.54 g/mol
Exact Mass392.26
IUPAC Name8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyl-4-oxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate
SMILESCCC1OC(CC)C2C3CC(C(C(=O)OC)C3C(=O)OC3(CC)CCCC3)C12
InChIInChI=1S/C23H36O5/c1-5-15-17-13-12-14(18(17)16(6-2)27-15)20(19(13)21(24)26-4)22(25)28-23(7-3)10-8-9-11-23/h13-20H,5-12H2,1-4H3
InChIKeyKRMWJGANJRJRIT-UHFFFAOYSA-N
XLogP4.13
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyl-4-oxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate 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 8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyl-4-oxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate?
The IUPAC name of 8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyl-4-oxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate (CID 20771730) is 8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyl-4-oxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate.
What is the SMILES notation for 8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyl-4-oxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate?
The canonical SMILES for 8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyl-4-oxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate is CCC1OC(CC)C2C3CC(C(C(=O)OC)C3C(=O)OC3(CC)CCCC3)C12.
What is the InChIKey of 8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyl-4-oxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate?
The InChIKey is KRMWJGANJRJRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36O5/c1-5-15-17-13-12-14(18(17)16(6-2)27-15)20(19(13)21(24)26-4)22(25)28-23(7-3)10-8-9-11-23/h13-20H,5-12H2,1-4H3.
What are the key properties of 8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyl-4-oxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate?
8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyl-4-oxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate has a molecular weight of 392.54 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-O-(1-ethylcyclopentyl) 9-O-methyl 3,5-diethyl-4-oxatricyclo[5.2.1.02,6]decane-8,9-dicarboxylate is sourced from PubChem (CID 20771730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).