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P-Menthane-3,8-diol

CAT: 0931-T203833Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T203833Size:100 mg
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CAS Number
42822-86-6
Target
Others
Related Pathways
Others
Bioactivity
P-Menthane-3,8-diol (2- (2-hydroxypropan-2-yl) -5-methylcyclohexan-1-ol) is a cyclohexanol that is used in organic synthesis and biochemical experiments.
Smiles
OC1CC(C)CCC1C(O)(C)C
Molecular Formula
C10H20O2
Molecular Weight
172.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

P-Menthane-3,8-diol

P-menthane-3,8-diol is a p-menthane monoterpenoid in which p-menthane carries hydroxy groups at C-3 and C-8. It derives from a hydride of a p-menthane.

CAS Number42822-86-6
PubChem CID556998
IUPAC Name2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
Molecular FormulaC10H20O2
Molecular Weight172.26
XLogP2.2
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity154
SMILES
CC1CCC(C(C1)O)C(C)(C)O
InChI
InChI=1S/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3
InChIKey
LMXFTMYMHGYJEI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of P-Menthane-3,8-diol
CAS: 42822-86-6
CID: 556998
Formula: C10H20O2
MW: 172.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight172.26
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass172.146329876
Monoisotopic Mass172.146329876
Topological Polar Surface Area40.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity154
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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