Structure Database (LMSD)

Common Name
Oleyl isobutyrate
Systematic Name
9Z-Octadecenyl isobutyrate
Synonyms
  • WE(18:1(9Z)/3:0(2Me))
LM ID
LMFA07010645
Formula
C23H44O2
Exact Mass
Calculate m/z
352.33413
Sum Composition
WE 23:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Wax monoesters [FA0701]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Branched fatty acids [FA0102]

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
VQGFLDJIMXABEX-SEYXRHQNSA-N
InChi (Click to copy)
InChI=1S/C23H44O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-23(24)22(3)5-2/h12-13,22H,4-11,14-21H2,1-3H3/b13-12-
SMILES (Click to copy)
O=C(C(C)CC)OCCCCCCCC/C=C\CCCCCCCC

Other Databases

PubChem CID
56936023

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 418.76
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 7.90
Molar Refractivity 110.36

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Created at
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Updated at
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