Structure Database (LMSD)
Common Name
18:1(12E)(11Me)
Systematic Name
11-methyl-12E-octadecenoic acid
Synonyms
3D model of 18:1(12E)(11Me)
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
References
String Representations
InChiKey (Click to copy)
ATAFFFIQYLMZPZ-NTCAYCPXSA-N
InChi (Click to copy)
InChI=1S/C19H36O2/c1-3-4-5-9-12-15-18(2)16-13-10-7-6-8-11-14-17-19(20)21/h12,15,18H,3-11,13-14,16-17H2,1-2H3,(H,20,21)/b15-12+
SMILES (Click to copy)
C(CCCCCCCCCC(C)/C=C/CCCCC)(=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
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Created at
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Updated at
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