Methyl (1R,3R,7S)-3,8,8-trimethyl-5-oxobicyclo[5.1.0]octane-4-carboxylate
[CAS# 801222-11-7]

Identification

• Name: Methyl (1R,3R,7S)-3,8,8-trimethyl-5-oxobicyclo[5.1.0]octane-4-carboxylate
• Synonyms: (1R,3R,7S)-methyl 3,8,8-trimethyl-5-oxobicyclo[5.1.0]octane-4-carboxylate
• Molecular Formula: C₁₃H₂₀O₃
• Molecular Weight: 224.30
• CAS Registry Number: 801222-11-7
• SMILES: O=C(OC)C1C(=O)C[C@H]2[C@@H](C[C@H]1C)C2(C)C
• InChI: 1S/C13H20O3/c1-7-5-8-9(13(8,2)3)6-10(14)11(7)12(15)16-4/h7-9,11H,5-6H2,1-4H3/t7-,8-,9+,11?/m1/s1
• InChIKey: UYNUDFDPONXCDC-OEJXEDHQSA-N

Properties

• Density: 1.041g/cm³ (Cal.)
• Boiling point: 293.268°C at 760 mmHg (Cal.)
• Flash point: 124.054°C (Cal.)
• Refractive index: 1.469 (Cal.)