Structure Database (LMSD)

Common Name
11-(2-cyclopenten-1-yl)-4Z-Undecenoic acid
Systematic Name
11-(2-cyclopenten-1-yl)-4Z-Undecenoic acid
Synonyms
  • 4-Undecenoic acid, 11-(2-cyclopenten-1-yl)-, (Z)-
  • 2-Cyclopentene-1-undec-4c-enoic acid
  • 11-(2-Cyclopentenyl)-4c-undecenoic acid
LM ID
LMFA01140053
Formula
C16H26O2
Exact Mass
Calculate m/z
250.19328
Sum Composition
FA 16:3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Carbocyclic fatty acids [FA0114]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
WQSQIHQYYSDWOF-XQRVVYSFSA-N
InChi (Click to copy)
InChI=1S/C16H26O2/c17-16(18)14-8-6-4-2-1-3-5-7-11-15-12-9-10-13-15/h4,6,9,12,15H,1-3,5,7-8,10-11,13-14H2,(H,17,18)/b6-4-
SMILES (Click to copy)
C(O)(=O)CC/C=C\CCCCCCC1CCC=C1

Other Databases

PubChem CID
131839798
PlantFA ID
10578

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 1
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 282.66
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.71
Molar Refractivity 75.58

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Created at
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Updated at
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