Molecule ID: 56927955

IUPAC Name: 7-hydroxy-7-methyl-4-prop-1-en-2-yloxepan-2-one

Description: The molecule is a terpene lactone that is oxepan-2-one bearing an isopropenyl substituent at position 4 as well as hydroxy and methyl substituents at position 7. It is an epsilon-lactone, a monoterpenoid and a terpene lactone.

SMILES: C=C(C)C1CCC(C)(O)OC(=O)C1

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

InChI: InChI=1S/C10H16O3/c1-7(2)8-4-5-10(3,12)13-9(11)6-8/h8,12H,1,4-6H2,2-3H3

Molecular Properties:
- Polar Surface Area: 46.5 Ų
- LogP: 1.7