Structure Database (LMSD)

O O
Common Name
decyl 2E-butenoate
Systematic Name
decyl 2E-butenoate
Synonyms
  • WE(10:0/4:1(2E))
LM ID
LMFA07010514
Formula
C14H26O2
Exact Mass
Calculate m/z
226.19328
Sum Composition
WE 14:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
YANIUXGLDWVFLW-UUILKARUSA-N
InChi (Click to copy)
InChI=1S/C14H26O2/c1-3-5-6-7-8-9-10-11-13-16-14(15)12-4-2/h4,12H,3,5-11,13H2,1-2H3/b12-4+
SMILES (Click to copy)
O=C(/C=C/C)OCCCCCCCCCC

References

Comments
Pherobase Semiochemicals

Other Databases

CHEBI ID
179332
PubChem CID
22311498

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 263.06
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.53
Molar Refractivity 68.87

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Created at
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Updated at
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