Molecule ID: 102063093

IUPAC Name: (4aR,7S,7aS)-4,7-dimethyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-ol

Description: The molecule is a cyclopentapyran that is (4aR,7aS)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran substituted at position 1 by a hydroxy group and at positions 4 and 7 by methyl groups (the 4aR,7S,7aS)-diastereomer. It has a role as a pheromone and a plant metabolite. It is a cyclopentapyran, an iridoid monoterpenoid and a lactol.

SMILES: CC1=COC(O)[C@H]2[C@@H](C)CC[C@@H]12

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

InChI: InChI=1S/C10H16O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h5-6,8-11H,3-4H2,1-2H3/t6-,8-,9-,10?/m0/s1

Molecular Properties:
- Polar Surface Area: 29.5 Ų
- LogP: 1.9