Structure Database (LMSD)

OH OH
Common Name
1beta,3beta,4alpha-p-menthane-3,8-diol
Systematic Name
(1R,2R,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
Synonyms
  • (1R,2R,5R)-2-(1-hydroxy-1-methylethyl)-5-methylcyclohexanol
  • (1R,3R,4R)-2-hydroxy-alpha,alpha,4-trimethylcyclohexanemethanol
  • (1R,3R,4R)-p-menthane-3,8-diol
  • p-menthane-3,8-diol
LM ID
LMPR0102090063
Formula
C10H20O2
Exact Mass
Calculate m/z
172.14633
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C10 isoprenoids (monoterpenes) [PR0102]
Menthane monoterpenoids [PR010209]

String Representations

InChiKey (Click to copy)
LMXFTMYMHGYJEI-IWSPIJDZSA-N
InChi (Click to copy)
InChI=1S/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3/t7-,8-,9-/m1/s1
SMILES (Click to copy)
[C@@H]1([C@@H](C[C@H](C)CC1)O)C(O)(C)C

References

Other Databases

KEGG ID
C02904
CHEBI ID
16053
PubChem CID
19100
GuidePharm ID
2472

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 1
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 186.78
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 2.13
Molar Refractivity 49.83

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Created at
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Updated at
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