Molecule ID: 11116489

IUPAC Name: (4R,7S)-4-methyl-7-propan-2-yloxepan-2-one

Description: The molecule is a 7-isopropyl-4-methyloxepan-2-one that has 4R,7S configuration. It has a role as a plant metabolite. It is a 7-isopropyl-4-methyloxepan-2-one, a terpene lactone and a monoterpenoid. It is an enantiomer of a (4S,7R)-7-isopropyl-4-methyloxepan-2-one.

SMILES: CC(C)[C@@H]1CC[C@@H](C)CC(=O)O1

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

InChI: InChI=1S/C10H18O2/c1-7(2)9-5-4-8(3)6-10(11)12-9/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 2.7