Structure Database (LMSD)

O O
Common Name
(Z)-5-Decenyl 3-methylbutanoate
Systematic Name
(Z)-5-Decenyl 3-methylbutanoate
Synonyms
  • WE(10:1(5Z)/4:0(3Me))
LM ID
LMFA07010532
Formula
C15H28O2
Exact Mass
Calculate m/z
240.20893
Sum Composition
WE 15:1
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]
Branched fatty acids [FA0102]

String Representations

InChiKey (Click to copy)
LATMVBFTWADBDD-FPLPWBNLSA-N
InChi (Click to copy)
InChI=1S/C15H28O2/c1-4-5-6-7-8-9-10-11-12-17-15(16)13-14(2)3/h7-8,14H,4-6,9-13H2,1-3H3/b8-7-
SMILES (Click to copy)
O=C(CC(C)C)OCCCC/C=C\CCCC

References

Comments
Pherobase Semiochemicals

Other Databases

PubChem CID
15693827

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 280.36
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.78
Molar Refractivity 73.42

Admin

Created at
-
Updated at
-