Molecule ID: 129900395

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

Description: The molecule is a (4S)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one that has R configuration at position 7. It derives from a (1R,4S)-1-hydroxylimonen-2-one. It is an enantiomer of a (4R,7S)-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+/m0/s1

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