Molecule ID: 14355861

IUPAC Name: (3R,5S,6R)-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-ene

Description: The molecule is a spiro compound that is vetispirane that has been dehydrogenated to introduce a double bond position 6-7 and in which the isopropyl subsbstituent has been replaced by a prop-1-en-2-yl group (the 2R,5S,10R isomer). It has a role as a plant metabolite. It is a spiro compound and a sesquiterpene. It derives from a hydride of a vetispirane.

SMILES: C=C(C)[C@@H]1CC[C@@]2(C1)C(C)=CCC[C@H]2C

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

InChI: InChI=1S/C15H24/c1-11(2)14-8-9-15(10-14)12(3)6-5-7-13(15)4/h6,13-14H,1,5,7-10H2,2-4H3/t13-,14-,15-/m1/s1

Molecular Properties:
- Polar Surface Area: 0.0 Ų
- LogP: 5.4