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Alpha-Pinene

CAT: 1299-RG-A261105-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A261105-04Size:100 mg
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CAS Number
80-56-8
Synonyms
2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
Molecular Formula
C10H16
Molecular Weight
136.24
Target Alternative Name
Pinene
Product Name Synonym
2,6,6-trimethylbicyclo[3.1.1]hept-2-ene

Chemical Information

(+-)-alpha-Pinene

Alpha-pinene is a pinene that is bicyclo[3.1.1]hept-2-ene substituted by methyl groups at positions 2, 6 and 6 respectively. It has a role as a plant metabolite.

CAS Number80-56-8
PubChem CID6654
IUPAC Name2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
Molecular FormulaC10H16
Molecular Weight136.23
XLogP2.8
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity186
SMILES
CC1=CCC2CC1C2(C)C
InChI
InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3
InChIKey
GRWFGVWFFZKLTI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (+-)-alpha-Pinene
CAS: 80-56-8
CID: 6654
Formula: C10H16
MW: 136.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight136.23
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass136.125200510
Monoisotopic Mass136.125200510
Topological Polar Surface Area0 Ų
Heavy Atom Count10
Formal Charge0
Complexity186
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
GK3356-5mlAlpha-Pinene
GL2550-500ml(+) -alpha-Pinene
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FP172233-01(1R) - (+) -alpha-Pinene
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TBW01089(1S)-(-)-alpha-Pinene

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