Structure Database (LMSD)
Common Name
18:1(13Z)(17Me)
Systematic Name
17-methyl-13Z-octadecenoic acid
Synonyms
3D model of 18:1(13Z)(17Me)
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)
VZLBZMQNNQGVMW-BENRWUELSA-N
InChi (Click to copy)
InChI=1S/C19H36O2/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(20)21/h10,12,18H,3-9,11,13-17H2,1-2H3,(H,20,21)/b12-10-
SMILES (Click to copy)
C(CCCCCCCCCCC/C=C\CCC(C)C)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
349.56
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
6.35
Molar Refractivity
91.63
Admin
Created at
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Updated at
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