Molecule ID: 545303

IUPAC Name: 7,9-ditert-butyl-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione

Description: The molecule is an oxaspiro compound that is 1-oxaspiro[4.5]deca-6,9-diene-2,8-dione carrying two additional tert-butyl substituents at positions 7 and 9. It is an oxaspiro compound, a lactone, an enone and a cyclic ketone.

SMILES: CC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)CCC(=O)O2

SELFIES: [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][P][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][#Branch2][=O][C][C][C][=Branch1][C][=O][O][Ring1][=C]

InChI: InChI=1S/C17H24O3/c1-15(2,3)11-9-17(8-7-13(18)20-17)10-12(14(11)19)16(4,5)6/h9-10H,7-8H2,1-6H3

Molecular Properties:
- Polar Surface Area: 43.4 Ų
- LogP: 3.8