Molecule ID: 56927853

IUPAC Name: 4-oxo-4-[(3R)-1,1,6-trimethyl-3-propan-2-yl-2,3-dihydroinden-5-yl]butanoic acid

Description: The molecule is an indane derivative in which the indane skeleton is substituted by geminal methyl groups at C-1, by a single methyl group at C-6, by an isopropyl group at C-3 and by a 3-carboxypropanoyl group at C-6. It is a member of indanes and a 4-oxo monocarboxylic acid.

SMILES: Cc1cc2c(cc1C(=O)CCC(=O)O)[C@@H](C(C)C)CC2(C)C

SELFIES: [C][C][=C][C][=C][Branch1][S][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][C][Ring1][P][Branch1][C][C][C]

InChI: InChI=1S/C19H26O3/c1-11(2)15-10-19(4,5)16-8-12(3)13(9-14(15)16)17(20)6-7-18(21)22/h8-9,11,15H,6-7,10H2,1-5H3,(H,21,22)/t15-/m1/s1

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: 4.2