Structure Database (LMSD)
Common Name
(1R,2R)-3-oxo-2-pentyl-cyclopentanebutanoic acid
Systematic Name
(1R,2R)-3-oxo-2-pentyl-cyclopentanebutanoic acid
Synonyms
3D model of (1R,2R)-3-oxo-2-pentyl-cyclopentanebutanoic 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)
MQWNXLZVXAQZES-VXGBXAGGSA-N
InChi (Click to copy)
InChI=1S/C14H24O3/c1-2-3-4-7-12-11(9-10-13(12)15)6-5-8-14(16)17/h11-12H,2-10H2,1H3,(H,16,17)/t11-,12-/m1/s1
SMILES (Click to copy)
OC(=O)CCC[C@H]1[C@@H](CCCCC)C(=O)CC1
References
Calculated Physicochemical Properties
Heavy Atoms
17
Rings
1
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
259.49
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
3.42
Molar Refractivity
66.85
Admin
Created at
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Updated at
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