Molecule ID: 129900396

IUPAC Name: (4R,7S)-7-hydroxy-7-methyl-4-prop-1-en-2-yloxepan-2-one

Description: The molecule is a (4R)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one that has S configuration at position 7. It derives from a (1S,4R)-1-hydroxylimonen-2-one. It is an enantiomer of a (4S,7R)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one.

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

SELFIES: [C][=C][Branch1][C][C][C@@H1][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/t8-,10+/m1/s1

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