Molecule ID: 4488496

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

Description: The molecule is a epsilon-lactone that is oxepan-2-one substituted by an isoprenyl group at position 4 and a methyl group at position 7. It derives from a hydride of an oxepane.

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

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

InChI: InChI=1S/C10H16O2/c1-7(2)9-5-4-8(3)12-10(11)6-9/h8-9H,1,4-6H2,2-3H3

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 2.5