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Structure

(-)-Alpha-cubebene

CAS
17699-14-8
Catalog Number
ACM17699148
Category
Other Products
Molecular Weight
204.35
Molecular Formula
C15H24

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Specification

Synonyms
1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, 3a,3b,4,5,6,7-hexahydro-3,7-dimethyl-4-(1-methylethyl)-, (3aalpha,3balpha,4alpha,7beta,7aR*)-(-)-;1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, 3a,3b,4,5,6,7-hexahydro-3,7-dimethyl-4-(1-methylethyl)-, *3aS-(3aalpha,3bbeta,4beta,7alpha,7aS*)-(-)-;1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, 3a,3b,4,5,6,7-hexahydro-3,7-dimethyl-4-(1-methylethyl)-, [3aS-(3aalpha,3bbeta,4beta,7alpha,7aS*)-(-)-];1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, 3aalpha,3balpha,4,5,6,7-hexahydro-4alpha-isopropyl-3,7beta-dimethyl-, (-)-;4-Isopropyl-3,7-dimethyl-3a,3b,4,5,6,7-hexahydro-1H-cyclopenta[2,3]cyclopropa[1,2-a]benzene;alpha-cubenene;(-)-ALPHA-CUBEBENE;(-)-ALPHA-CUBEBENESTAB.
Boiling Point
245-246°C(lit.)
Flash Point
>230°F
Density
0.889g/mL at 20°C(lit.)
What is the molecular formula of alpha-cubebene?

The molecular formula of alpha-cubebene is C15H24.

Where is alpha-cubebene found?

Alpha-cubebene is found in Hungarian thyme, citrus fruit, chamomile, and several other flowering plants.

What is the role of alpha-cubebene?

Alpha-cubebene has a role as a plant metabolite, a human metabolite, and a volatile oil component.

What is the molecular weight of alpha-cubebene?

The molecular weight of alpha-cubebene is 204.35 g/mol.

What is the IUPAC Name of alpha-cubebene?

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.

What is the Canonical SMILES of alpha-cubebene?

The Canonical SMILES of alpha-cubebene is CC1CCC(C2C13C2C(=CC3)C)C(C)C.

What is the InChI of alpha-cubebene?

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.

How many hydrogen bond donor counts does alpha-cubebene have?

Alpha-cubebene has 0 hydrogen bond donor counts.

What is the topological polar surface area of alpha-cubebene?

The topological polar surface area of alpha-cubebene is 0-2.

What is the complexity value of alpha-cubebene?

The complexity value of alpha-cubebene is 312.

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