Structure Database (LMSD)
Common Name
(1S,4R)-1-Hydroxy-2-oxolimonene
Systematic Name
Synonyms
3D model of (1S,4R)-1-Hydroxy-2-oxolimonene
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)
JEQLRDRDFLXSHY-SCZZXKLOSA-N
InChi (Click to copy)
InChI=1S/C10H16O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8,12H,1,4-6H2,2-3H3/t8-,10+/m1/s1
SMILES (Click to copy)
[C@]1(O)(C)CC[C@@H](C(C)=C)CC1=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
1
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
181.50
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
1.97
Molar Refractivity
48.30
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Created at
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Updated at
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