(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate

C18H24O4 — CID 18336323

IUPAC(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
SMILESCC1C2CC(C(=O)OC3C4CC5C(=O)OC3C5C4)C(C2)C1C
InChIInChI=1S/C18H24O4/c1-7-8(2)11-3-9(7)4-13(11)17(19)21-15-10-5-12-14(6-10)18(20)22-16(12)15/h7-16H,3-6H2,1-2H3
InChIKeyFYBBAZSFUDIPEM-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.41
Rot. Bonds2

About (5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate

(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 18336323) has the molecular formula C18H24O4 and a molecular weight of 304.39 g/mol. Its IUPAC name is (5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Name(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
PubChem CID18336323
Molecular FormulaC18H24O4
Molecular Weight304.39 g/mol
Exact Mass304.17
IUPAC Name(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate
SMILESCC1C2CC(C(=O)OC3C4CC5C(=O)OC3C5C4)C(C2)C1C
InChIInChI=1S/C18H24O4/c1-7-8(2)11-3-9(7)4-13(11)17(19)21-15-10-5-12-14(6-10)18(20)22-16(12)15/h7-16H,3-6H2,1-2H3
InChIKeyFYBBAZSFUDIPEM-UHFFFAOYSA-N
XLogP2.41
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate 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 (5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of (5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate (CID 18336323) is (5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for (5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for (5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate is CC1C2CC(C(=O)OC3C4CC5C(=O)OC3C5C4)C(C2)C1C.
What is the InChIKey of (5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is FYBBAZSFUDIPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O4/c1-7-8(2)11-3-9(7)4-13(11)17(19)21-15-10-5-12-14(6-10)18(20)22-16(12)15/h7-16H,3-6H2,1-2H3.
What are the key properties of (5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate?
(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 5,6-dimethylbicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 18336323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).