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(-) -Isomenthone

CAT: 0931-T83607-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T83607-01Size:5 mg
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CAS Number
18309-28-9
Target
Others
Related Pathways
Others
Bioactivity
(-) -Isomenthone, a volatile active compound found in Mentha haplocalyx, exhibits a relative content of 2.53% in Qinghai peppermint [1].
Smiles
[C@H](C)(C)[C@H]1C(=O)C[C@@H](C)CC1
Molecular Formula
C10H18O
Molecular Weight
154.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Isomenthone, (+-)-

(-)-isomenthone is an isomenthone. It is an enantiomer of a (+)-isomenthone.

CAS Number18309-28-9
PubChem CID6432469
IUPAC Namecis-(2S,5S)-5-methyl-2-propan-2-ylcyclohexan-1-one
Molecular FormulaC10H18O
Molecular Weight154.25
XLogP2.7
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity149
SMILES
C[C@H]1CC[C@H](C(=O)C1)C(C)C
InChI
InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9-/m0/s1
InChIKey
NFLGAXVYCFJBMK-IUCAKERBSA-N
Chemical Structure
2D Structure
2D structure of Isomenthone, (+-)-
CAS: 18309-28-9
CID: 6432469
Formula: C10H18O
MW: 154.25
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight154.25
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass154.135765193
Monoisotopic Mass154.135765193
Topological Polar Surface Area17.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity149
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes