Molecule ID: 25245389

IUPAC Name: (3S,6R)-6-hydroxy-3-prop-1-en-2-ylheptanoate

Description: The molecule is an optically active form of 6-hydroxy-3-isopropenylheptanoate having (3R,6R)-configuration. Product of the hydrolysis of (4S,7R)-4-isopropenyl-7-methyloxepan-2-one. It is a conjugate base of a (3S,6R)-6-hydroxy-3-isopropenylheptanoic acid.

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

SELFIES: [C][=C][Branch1][C][C][C@@H1][Branch1][Branch2][C][C][C@@H1][Branch1][C][C][O][C][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C10H18O3/c1-7(2)9(6-10(12)13)5-4-8(3)11/h8-9,11H,1,4-6H2,2-3H3,(H,12,13)/p-1/t8-,9+/m1/s1

Molecular Properties:
- Polar Surface Area: 60.4 Ų
- LogP: 2.4