Isomenthol

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Description

Isomenthol is an alcohol compound. Isomenthol exists in two main conformations and has no mint flavor[1].

CAS Number

3623-52-7

UNSPSC

12352100

Target

Others

Related Pathways

Others

Field of Research

Others

Smiles

CC([C@H]1[C@@H](C[C@H](CC1)C)O)C

Molecular Formula

C10H20O

Molecular Weight

156.27

References & Citations

[1]Egawa T, et al. Structural determination of menthol and isomenthol, a minty compound and its nonminty isomer, by means of gas electron diffraction augmented by theoretical calculations[J]. The Journal of Physical Chemistry A, 2003, 107 (15) : 2757-2762.

Shipping Conditions

Room temperature

Scientific Category

Reference compound2

Clinical Information

No Development Reported

Chemical Information

Isomenthol

(-)-isomenthol has been reported in Minthostachys mollis, Atalantia buxifolia, and other organisms with data available.

CAS Number	3623-52-7
PubChem CID	6432468
IUPAC Name	(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexan-1-ol
Molecular Formula	C10H20O
Molecular Weight	156.26
XLogP	3
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	120

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+/m0/s1

InChIKey

NOOLISFMXDJSKH-LPEHRKFASA-N

Chemical Structure

2D Structure

CAS: 3623-52-7

CID: 6432468

Formula: C10H20O

MW: 156.26

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	156.26
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	156.151415257
Monoisotopic Mass	156.151415257
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	120
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
HY-N7259-01	(+) -Isomenthone
HY-N7259A	(-) -Isomenthone
HY-N7259B-01	(±) -Isomenthone

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20624490	(+) -Isomenthol
TRC-I821310-250MG	(+)-Isomenthol
280994-01	DL-Isomenthol
AR-E09792-01	Emtricitabine Impurity 44 (Isomenthol)

Isomenthol

Chemical Information

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