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(+) -Cuparene

CAT: 0931-TN6762-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TN6762-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16982-00-6
Target
Others
Related Pathways
Others
Purity
0.9997
Bioactivity
(+) -Cuparene is a bioactive chemical.
Smiles
C[C@@]1(C(C)(C)CCC1)C2=CC=C(C)C=C2
Molecular Formula
C15H22
Molecular Weight
202.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cuparene

Cuparene is a sesquiterpenoid.

CAS Number16982-00-6
PubChem CID86895
IUPAC Name1-methyl-4-[(1R)-1,2,2-trimethylcyclopentyl]benzene
Molecular FormulaC15H22
Molecular Weight202.33
XLogP5.5
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity220
SMILES
CC1=CC=C(C=C1)[C@@]2(CCCC2(C)C)C
InChI
InChI=1S/C15H22/c1-12-6-8-13(9-7-12)15(4)11-5-10-14(15,2)3/h6-9H,5,10-11H2,1-4H3/t15-/m0/s1
InChIKey
SLKPBCXNFNIJSV-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of Cuparene
CAS: 16982-00-6
CID: 86895
Formula: C15H22
MW: 202.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight202.33
XLogP35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass202.172150702
Monoisotopic Mass202.172150702
Topological Polar Surface Area0 Ų
Heavy Atom Count15
Formal Charge0
Complexity220
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
M23763-01Cuparene
sc-227691(+) -Cuparene
MBS5765738(+)-Cuparene

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