Structure database (LMSD)

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LM IDLMPR0102090016
Common NameLimonene-1,2-diol
Systematic Name-
Synonyms-
Exact Mass
170.1307 (neutral)    Calculate m/z:
FormulaC10H18O2
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC10 isoprenoids (monoterpenes) [PR0102]
Class Level 4Menthane monoterpenoids [PR010209]
PubChem CID441246
KEGG IDC07276
CHEBI ID18515
InChIKeyWKZWTZTZWGWEGE-UTLUCORTSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8-9,11-12H,1,4-6H2,2-3H3/t8-,9+
,10+/m1/s1
SMILES[C@]1(O)(C)CC[C@@H](C(C)=C)C[C@@H]1O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms12Rings1Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
184.14Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP2.05Molar
Refractivity
49.81