Structure Database (LMSD)
Common Name
Eicos-7-ynoic acid
Systematic Name
7-eicosynoic acid
Synonyms
- 7-icosynoic acid
No other lipid differing only in stereochemistry/bond geometry found
3D model of Eicos-7-ynoic acid
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
Reactions
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References
String Representations
InChiKey (Click to copy)
TVFMCMURTRXDMN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-12,15-19H2,1H3,(H,21,22)
SMILES (Click to copy)
C(CCCCCC(=O)O)#CCCCCCCCCCCCC
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
364.22
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
6.34
Molar Refractivity
94.96
Admin
Created at
-
Updated at
25th Apr 2022