Molecule ID: 442399

IUPAC Name: (3R,5S,6R)-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one

Description: The molecule is a cyclic ketone derived from spiro[4.5]dec-6-en-8-one by substitution of hydrogens by methyl groups at positions 6 and 10, and by an isopropenyl group at position 2 (the (2R,5S,10R)-diastereoisomer). It has a role as a phytoalexin and a plant metabolite. It is a spiro compound, a sesquiterpenoid and a cyclic ketone.

SMILES: C=C(C)[C@@H]1CC[C@@]2(C1)C(C)=CC(=O)C[C@H]2C

SELFIES: [C][=C][Branch1][C][C][C@@H1][C][C][C@@][Branch1][Ring2][C][Ring1][Branch1][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][C@H1][Ring1][=Branch2][C]

InChI: InChI=1S/C15H22O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12-13H,1,5-6,8-9H2,2-4H3/t12-,13-,15-/m1/s1

Molecular Properties:
- Polar Surface Area: 17.1 Ų
- LogP: 4.0