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Menthone

CAT: 0926-FM74368-04Size: 0.25 gDry Ice: NoHazardous: No
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CAT#:0926-FM74368-04Size:0.25 g
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CAS Number
89-80-5
Smiles
C[C@@H]1CC[C@H] (C (=O) C1) C (C) C
Molecular Formula
C10H18O
Molecular Weight
154.25 g/mol
Controlled
No

Chemical Information

Menthone

(-)-menthone is a menthone that is cyclohexanone substituted by a methyl and an isopropyl group at positions 5 and 2 respectively (the 2S,5R-stereoisomer). It is an enantiomer of a (+)-menthone.

CAS Number89-80-5
PubChem CID26447
IUPAC Nametrans-(2S,5R)-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+/m1/s1
InChIKey
NFLGAXVYCFJBMK-BDAKNGLRSA-N
Chemical Structure
2D Structure
2D structure of Menthone
CAS: 89-80-5
CID: 26447
Formula: C10H18O
MW: 154.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
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

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