Structure Database (LMSD)

O O
Common Name
Tetradecyl isobutyrate
Systematic Name
Tetradecyl isobutyrate
Synonyms
  • WE(14:0/3:0(2Me))
LM ID
LMFA07010679
Formula
C18H36O2
Exact Mass
Calculate m/z
284.27153
Sum Composition
WE 18:0
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]
Branched fatty acids [FA0102]

String Representations

InChiKey (Click to copy)
CFSDKUROIWNCSH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-18(19)17(2)3/h17H,4-16H2,1-3H3
SMILES (Click to copy)
O=C(C(C)C)OCCCCCCCCCCCCCC

References

Comments
Pherobase Semiochemicals

Other Databases

PubChem CID
560579

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 334.90
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 6.17
Molar Refractivity 87.37

Admin

Created at
-
Updated at
-