beta-Bourbonene

beta-Bourbonene
Compound Structure:
Synonyms: beta-Bourbonene;(-)-beta-Bourbonene;KIZ51R7NTL;5208-59-3;(-)-.beta.-Bourbonene;b-bourbonene;.beta.-Bourbonene;(1S,3aS,3bR,6aS,6bR)-1-Isopropyl-3a-methyl-6-methylenedecahydrocyclobuta[1,2:3,4]di[5]annulene
Compound ID: NMPC-615
PubChem ID:

/62566
Molecular Formula: C15H24
Canonical SMILES: CC(C)C1CCC2(C1C3C2CCC3=C)C
InChIKey: YIRAHEODBQONHI-ZQNQSHIBSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

204.35 g/mol

XLogP3-AA

4.7

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

1

Exact Mass

204.187800766 g/mol

Monoisotopic Mass

204.187800766 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

15

Formal Charge

0

Complexity

301

Isotope Atom Count

0

Defined Atom Stereocenter Count

5

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Colourless to yellow oily liquid; Woody aroma

Boiling Point

121.00 °C. @ 11.00 mm Hg

Density

0.899-0.908

Solubility 

Insoluble in water; soluble in most fixed oils

Source: PubChem                                                                                             
Source Species: Klainedoxa gabonensis
Tithonia diversifolia
Tithonia rotundifolia
Brachystegia eurycoma
Acalypha segetalis
Centratherum punctatum
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