Structure Database (LMSD)
Common Name
(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid
Systematic Name
(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid
Synonyms
3D model of (1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
MTWJEFNRVOYKJI-ZIAGYGMSSA-N
InChi (Click to copy)
InChI=1S/C16H28O3/c1-2-3-5-9-14-13(11-12-15(14)17)8-6-4-7-10-16(18)19/h13-14H,2-12H2,1H3,(H,18,19)/t13-,14-/m1/s1
SMILES (Click to copy)
C(O)(=O)CCCCC[C@H]1[C@@H](CCCCC)C(=O)CC1
References
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
1
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
294.09
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
4.20
Molar Refractivity
76.08
Admin
Created at
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Updated at
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