(1S,4R,5R,6S)-4,5-Dimethyl-7-methylene-2-oxatricyclo[4.3.2.0^1,5]undecane
[CAS# 783321-90-4]

Identification

• Name: (1S,4R,5R,6S)-4,5-Dimethyl-7-methylene-2-oxatricyclo[4.3.2.0^1,5]undecane
• Synonyms: (3R,3aR,4S,7aS)-3,3a-dimethyl-5-methylenehexahydro-2H-4,7a-ethanobenzofuran
• Molecular Formula: C₁₃H₂₀O
• Molecular Weight: 192.30
• CAS Registry Number: 783321-90-4
• SMILES: C[C@H]1CO[C@@]23[C@@]1([C@@H](CC2)C(=C)CC3)C
• InChI: 1S/C13H20O/c1-9-4-6-13-7-5-11(9)12(13,3)10(2)8-14-13/h10-11H,1,4-8H2,2-3H3/t10-,11-,12-,13+/m0/s1
• InChIKey: PUOUNXFZFZWGPJ-ZDEQEGDKSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 258.3±29.0°C at 760 mmHg (Cal.)
• Flash point: 106.4±22.3°C (Cal.)
• Refractive index: 1.514 (Cal.)