Molecule ID: 91696

IUPAC Name: 1-(1,1,2,6-tetramethyl-3-propan-2-yl-2,3-dihydroinden-5-yl)ethanone

Description: The molecule is an indane derivative in which the indane skeleton is substituted by geminal methyl groups at C-1, by single methyl groups at C-2 and C-6, by an isopropyl group at C-3 and by an acetyl group at C-6. It is a constituent of musk odorant. It has a role as an odorant receptor agonist and a fragrance. It is a member of indanes, a methyl ketone and an aromatic ketone.

SMILES: CC(=O)c1cc2c(cc1C)C(C)(C)C(C)C2C(C)C

SELFIES: [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][C][Ring1][O][C][Branch1][C][C][C]

InChI: InChI=1S/C18H26O/c1-10(2)17-12(4)18(6,7)16-8-11(3)14(13(5)19)9-15(16)17/h8-10,12,17H,1-7H3

Molecular Properties:
- Polar Surface Area: 17.1 Ų
- LogP: 5.1