Molecule ID: 443189

IUPAC Name: (3R)-6-oxo-3-prop-1-en-2-ylheptanoic acid

Description: The molecule is an optically active form of 3-isopropenyl-6-oxoheptanoic acid having (3R)-configuration. It derives from a (4R)-7-hydroxy-4-isopropenyl-7-methyloxepan-2-one. It is a conjugate acid of a (3R)-3-isopropenyl-6-oxoheptanoate. It is an enantiomer of a (3S)-3-isopropenyl-6-oxoheptanoic acid.

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

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

InChI: InChI=1S/C10H16O3/c1-7(2)9(6-10(12)13)5-4-8(3)11/h9H,1,4-6H2,2-3H3,(H,12,13)/t9-/m1/s1

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: 1.3