Molecule ID: 102335043

IUPAC Name: 5-[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol

Description: The molecule is a member of the class of octahydronaphthalenes that is 1,2,3,4,4a,7,8,8a-octahydronaphthalene which is substituted at position 1 by a 3-hydroxy-3-methylpent-1-en-5-yl group and a methyl group, and by further methyl groups at positions 2, 4, and 5 (the 1R,2S,4aS,8aS stereoisomer; the stereochemistry at the tertiary alcohol was not determined). It is a diterpenoid, a member of octahydronaphthalenes and a tertiary allylic alcohol.

SMILES: C=CC(C)(O)CC[C@]1(C)[C@@H](C)CC[C@]2(C)C(C)=CCC[C@@H]12

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

InChI: InChI=1S/C20H34O/c1-7-18(4,21)13-14-20(6)16(3)11-12-19(5)15(2)9-8-10-17(19)20/h7,9,16-17,21H,1,8,10-14H2,2-6H3/t16-,17+,18?,19+,20+/m0/s1

Molecular Properties:
- Polar Surface Area: 20.2 Ų
- LogP: 5.6