17694-68-7 Purity
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Specification
The molecular formula of alpha-cubebene is C15H24.
Alpha-cubebene is found in Hungarian thyme, citrus fruit, chamomile, and several other flowering plants.
Alpha-cubebene has a role as a plant metabolite, a human metabolite, and a volatile oil component.
The molecular weight of alpha-cubebene is 204.35 g/mol.
The IUPAC Name of alpha-cubebene is (1R,5S,6R,7S,10R)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.0 1,5 ]dec-3-ene.
The Canonical SMILES of alpha-cubebene is CC1CCC(C2C13C2C(=CC3)C)C(C)C.
The InChI of alpha-cubebene is InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h7,9,11-14H,5-6,8H2,1-4H3/t11-,12+,13-,14-,15+/m1/s1.
Alpha-cubebene has 0 hydrogen bond donor counts.
The topological polar surface area of alpha-cubebene is 0-2.
The complexity value of alpha-cubebene is 312.