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Isoleptospermone

CAT: 0931-T32211-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0931-T32211-02Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5009-05-2
Target
Others
Related Pathways
Others
Bioactivity
Isoleptospermone is a bioactive chemical.
Smiles
C(C(CC)C)(=O)C1C(=O)C(C)(C)C(=O)C(C)(C)C1=O
Molecular Formula
C15H22O4
Molecular Weight
266.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Isoleptospermone

Isoleptospermone is a monoterpenoid.

CAS Number5009-05-2
PubChem CID59518515
IUPAC Name2,2,4,4-tetramethyl-6-(2-methylbutanoyl)cyclohexane-1,3,5-trione
Molecular FormulaC15H22O4
Molecular Weight266.33
XLogP3
Topological Polar Surface Area68.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity427
SMILES
CCC(C)C(=O)C1C(=O)C(C(=O)C(C1=O)(C)C)(C)C
InChI
InChI=1S/C15H22O4/c1-7-8(2)10(16)9-11(17)14(3,4)13(19)15(5,6)12(9)18/h8-9H,7H2,1-6H3
InChIKey
ZDZMTTISWJCOAE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isoleptospermone
CAS: 5009-05-2
CID: 59518515
Formula: C15H22O4
MW: 266.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight266.33
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass266.15180918
Monoisotopic Mass266.15180918
Topological Polar Surface Area68.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity427
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
592532-01Isoleptospermone

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