Molecule ID: 56927808

IUPAC Name: (1R,2R,5R,8S)-2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carbaldehyde

Description: The molecule is an enal that is pentalen-13-ol in which the primary hydroxy group hax been oxidised to the corresponding aldehyde. It is an enal and a sesquiterpenoid. It derives from a pentalenene.

SMILES: C[C@@H]1CC[C@H]2C(C=O)=C[C@@H]3CC(C)(C)C[C@@]132

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

InChI: InChI=1S/C15H22O/c1-10-4-5-13-11(8-16)6-12-7-14(2,3)9-15(10,12)13/h6,8,10,12-13H,4-5,7,9H2,1-3H3/t10-,12-,13+,15-/m1/s1

Molecular Properties:
- Polar Surface Area: 17.1 Ų
- LogP: 4.0