Structure Database (LMSD)
Common Name
(1R,2R)-3-oxo-2-pentyl-cyclopentaneoctanoic acid
Systematic Name
(1R,2R)-3-oxo-2-pentyl-cyclopentaneoctanoic acid
Synonyms
3D model of (1R,2R)-3-oxo-2-pentyl-cyclopentaneoctanoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
ITXGIRZCCUTEJX-HZPDHXFCSA-N
InChi (Click to copy)
InChI=1S/C18H32O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h15-16H,2-14H2,1H3,(H,20,21)/t15-,16-/m1/s1
SMILES (Click to copy)
C(CCCCCCC[C@H]1[C@@H](CCCCC)C(=O)CC1)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
1
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
328.69
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
4.98
Molar Refractivity
85.32
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Created at
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Updated at
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