(5E)-5-(2,2-Dimethylpropylidene)hexahydro-1(2H)-pentalenone
[CAS# 778628-01-6]

Identification

• Name: (5E)-5-(2,2-Dimethylpropylidene)hexahydro-1(2H)-pentalenone
• Synonyms: (5E)-5-(2,2-Dimethylpropylidene)hexahydro-1(2H)-pentalenone #; (E)-5-(2,2-dimethylpropylidene)hexahydropentalen-1(2H)-one; Bicyclo[3.3.0]octan-2-one, 7-neopentylidene-
• Molecular Formula: C₁₃H₂₀O
• Molecular Weight: 192.30
• CAS Registry Number: 778628-01-6
• SMILES: O=C2C1CC(=C\C(C)(C)C)\CC1CC2
• InChI: 1S/C13H20O/c1-13(2,3)8-9-6-10-4-5-12(14)11(10)7-9/h8,10-11H,4-7H2,1-3H3/b9-8+
• InChIKey: RDFQBUYFFVKJRJ-CMDGGOBGSA-N

Properties

• Density: 1.033g/cm³ (Cal.)
• Boiling point: 279.209°C at 760 mmHg (Cal.)
• Flash point: 113.222°C (Cal.)
• Refractive index: 1.556 (Cal.)