Structure Database (LMSD)

Common Name
1alpha,3alpha,4beta-p-menthane-3,8-diol
Systematic Name
(1S,2S,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
Synonyms
  • (1S,2S,5S)-2-(1-hydroxy-1-methylethyl)-5-methylcyclohexanol
LM ID
LMPR0102090049
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-CIUDSAMLSA-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-/m0/s1
SMILES (Click to copy)
[C@H]1([C@H](C[C@@H](C)CC1)O)C(O)(C)C

References

Other Databases

CHEBI ID
48251
PubChem CID
10797292

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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