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(±) -Neoisomenthol

CAT: 0013-GTR19279262-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19279262-02Size:50 mg
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Description
(±) -Neoisomenthol is a monoterpene compound characterized by a mint-like aroma and flavor. It is a volatile substance found in wild mint. This chiral compound exists as a racemic mixture of its two enantiomers, (+) -Neoisomenthol and (-) -Neoisomenthol.
CAS Number
491-02-1
Smiles
[C@H] (C) (C) [C@H]1[C@@H] (O) C[C@@H] (C) CC1
Molecular Formula
C10H20O
Molecular Weight
156.27
Notes
For research use only.

Chemical Information

Neoisomenthol

Neoisomenthol is a p-menthan-3-ol.

CAS Number491-02-1
PubChem CID19244
IUPAC Name(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol
Molecular FormulaC10H20O
Molecular Weight156.26
XLogP3
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity120
SMILES
C[C@@H]1CC[C@@H]([C@@H](C1)O)C(C)C
InChI
InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9-,10-/m1/s1
InChIKey
NOOLISFMXDJSKH-OPRDCNLKSA-N
Chemical Structure
2D Structure
2D structure of Neoisomenthol
CAS: 491-02-1
CID: 19244
Formula: C10H20O
MW: 156.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight156.26
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass156.151415257
Monoisotopic Mass156.151415257
Topological Polar Surface Area20.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity120
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

Alternative Products

CatalogName
460652-01(±) -Neoisomenthol
285547Neoisomenthol
TRC-N389960-500MG(±)-Neoisomenthol
IN182314-01(-) -Neoisomenthol

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