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(1R) - (-) -Neomenthyl acetate

CAT: 0024-sc-223231Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-223231Size:200 mg
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CAS Number
146502-80-9

Chemical Information

(1R,2R,5S)-(-)-Neomenthyl acetate
CAS Number146502-80-9
PubChem CID6432249
IUPAC Name[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] acetate
Molecular FormulaC12H22O2
Molecular Weight198.30
XLogP3.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity198
SMILES
C[C@H]1CC[C@@H]([C@@H](C1)OC(=O)C)C(C)C
InChI
InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11+,12+/m0/s1
InChIKey
XHXUANMFYXWVNG-MVWJERBFSA-N
Chemical Structure
2D Structure
2D structure of (1R,2R,5S)-(-)-Neomenthyl acetate
CAS: 146502-80-9
CID: 6432249
Formula: C12H22O2
MW: 198.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight198.30
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass198.161979940
Monoisotopic Mass198.161979940
Topological Polar Surface Area26.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity198
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
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Alternative Products

CatalogName
TRC-N390220-100MGNeomenthyl Acetate
TRC-N390078-100MG(-)-Neomenthyl Acetate
TRC-N390037-250MG(+)-Neomenthyl Acetate
M21354-01(1R) - (-) -Menthyl acetate
MBS3611339-01(1R)-(-)-Menthyl acetate
OR1054554((1R,2S) -2- (Hydroxymethyl) cyclobutyl) methyl acetate
RG-A262013-01Ethyl 2- ((1R,4R) -4-Acetamidocyclohexyl) Acetate
RG-A262012-01Methyl 2- ((1R,4R) -4-Acetamidocyclohexyl) Acetate
TRC-A138250-500MG4-((1R,2S)-2-Acetamidocyclopropyl)phenyl Acetate
OR955707Methyl 2- ([ (1r) -1-phenylethyl]amino) acetate

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