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Dihydrojasmone

CAT: 1410-M21347-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:1410-M21347-01Size:1 g
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Description
Dihydrojasmone is a natural product from bergamot.
CAS Number
1128-08-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
166.26
Molecular Formula
C11H18O
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Dihydrojasmone

3-methyl-2-pentylcyclopent-2-en-1-one is a cyclic ketone.

CAS Number1128-08-1
PubChem CID62378
IUPAC Name3-methyl-2-pentylcyclopent-2-en-1-one
Molecular FormulaC11H18O
Molecular Weight166.26
XLogP2.9
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count12
Formal Charge0
Complexity201
SMILES
CCCCCC1=C(CCC1=O)C
InChI
InChI=1S/C11H18O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h3-8H2,1-2H3
InChIKey
YCIXWYOBMVNGTB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dihydrojasmone
CAS: 1128-08-1
CID: 62378
Formula: C11H18O
MW: 166.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight166.26
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass166.135765193
Monoisotopic Mass166.135765193
Topological Polar Surface Area17.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity201
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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