Molecule ID: 135563664

IUPAC Name: [(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 3,5-dimethoxybenzoate

Description: The molecule is a benzoate ester resulting from the formal condensation of the carboxy group of 3,5-dimethoxybenzoic acid with the hydroxy group of (-)-borneol. It is a dimethoxybenzene, a benzoate ester, a monoterpenoid and a carbobicyclic compound. It derives from a (-)-borneol and a 3,5-dimethoxybenzoic acid.

SMILES: COc1cc(OC)cc(C(=O)O[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)c1

SELFIES: [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][O][C@@H1][C][C@@H1][C][C][C@@][Ring1][=Branch1][Branch1][C][C][C][Ring1][=Branch1][Branch1][C][C][C][=C][Ring2][Ring1][Branch1]

InChI: InChI=1S/C19H26O4/c1-18(2)13-6-7-19(18,3)16(10-13)23-17(20)12-8-14(21-4)11-15(9-12)22-5/h8-9,11,13,16H,6-7,10H2,1-5H3/t13-,16+,19+/m0/s1

Molecular Properties:
- Polar Surface Area: 44.8 Ų
- LogP: 4.7