(1beta,4beta)-Bicyclo[2.2.1]hepta-5-ene-3alpha-carboxylic acid (3R)-2-oxo-4,4-dimethyltetrahydrofuran-3-yl ester

Base Information

• Chemical Name: (1beta,4beta)-Bicyclo[2.2.1]hepta-5-ene-3alpha-carboxylic acid (3R)-2-oxo-4,4-dimethyltetrahydrofuran-3-yl ester
• CAS No.: 102096-61-7
• Molecular Formula: C₁₄H₁₈O₄
• Molecular Weight: 250.295
• DSSTox Substance ID: DTXSID601118004
• Nikkaji Number: J2.383.660B
• Mol file: 102096-61-7.mol

Synonyms:DTXSID601118004;(1beta,4beta)-Bicyclo[2.2.1]hepta-5-ene-3alpha-carboxylic acid (3R)-2-oxo-4,4-dimethyltetrahydrofuran-3-yl ester;(3R)-Tetrahydro-4,4-dimethyl-2-oxo-3-furanyl (1S,2S,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxylate;102096-61-7

Chemical Property of (1beta,4beta)-Bicyclo[2.2.1]hepta-5-ene-3alpha-carboxylic acid (3R)-2-oxo-4,4-dimethyltetrahydrofuran-3-yl ester

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 250.12050905
• Heavy Atom Count: 18
• Complexity: 424

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(COC(=O)C1OC(=O)C2CC3CC2C=C3)C
• Isomeric SMILES: CC1(COC(=O)[C@@H]1OC(=O)[C@H]2C[C@@H]3C[C@H]2C=C3)C