Structure Database (LMSD)
Common Name
1beta,3beta,4beta-p-menthane-3,8-diol
Systematic Name
(1R,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
Synonyms
- (1R,2S,5R)-2-(1-hydroxy-1-methylethyl)-5-methylcyclohexanol
3D model of 1beta,3beta,4beta-p-menthane-3,8-diol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
LMXFTMYMHGYJEI-HRDYMLBCSA-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[C@H](C)CC[C@@H]1C(O)(C)C)O
Other Databases
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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