Structure database (LMSD)

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LM IDLMPR0102090051
Common Name1β,3α,4α-p-menthane-3,8-diol
Systematic Name(1S,2R,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
Synonyms(1S,2R,5R)-2-(1-hydroxy-1-methylethyl)-5-methylcyclohexanol
Exact Mass
172.1463 (neutral)    Calculate m/z:
FormulaC10H20O2
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC10 isoprenoids (monoterpenes) [PR0102]
Class Level 4Menthane monoterpenoids [PR010209]
PubChem CID9920491
CHEBI ID48256
InChIKeyLMXFTMYMHGYJEI-HLTSFMKQSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=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[C@@H]1(C[C@H](C)CC[C@H]1C(O)(C)C)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms12Rings1Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
186.78Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP2.13Molar
Refractivity
49.83