Structure Database (LMSD)
Common Name
16-Methylheptadecyl isobutyrate
Systematic Name
16-Methylheptadecyl isobutyrate
Synonyms
- WE(17:0(16Me)/3:0(2Me))
No other lipid differing only in stereochemistry/bond geometry found
3D model of 16-Methylheptadecyl isobutyrate
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
Comments
Pherobase Semiochemicals
String Representations
InChiKey (Click to copy)
UDUFLHCKDCVNHC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H44O2/c1-20(2)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-24-22(23)21(3)4/h20-21H,5-19H2,1-4H3
SMILES (Click to copy)
O=C(C(C)C)OCCCCCCCCCCCCCCCC(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
0
Aromatic Rings
0
Rotatable Bonds
18
Van der Waals Molecular Volume
404.10
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
7.59
Molar Refractivity
105.76
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Created at
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Updated at
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