LIPID MAPS

Structure Database (LMSD)

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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

Main

Classification

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

References

Comments

Pherobase Semiochemicals

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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