Structure Database (LMSD)
Common Name
Isononadecanoic acid
Systematic Name
17-methyl-octadecanoic acid
Synonyms
3D model of Isononadecanoic 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
String Representations
InChiKey (Click to copy)
YETXGSGCWODRAA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H38O2/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)
SMILES (Click to copy)
C(CCCCCCC(C)C)CCCCCCCCC(=O)O
Other Databases
HMDB ID
CHEBI ID
LIPIDBANK ID
DFA7064
PubChem CID
PlantFA ID
Cayman ID
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
352.20
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
6.58
Molar Refractivity
91.73
Admin
Created at
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Updated at
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