Structure Database (LMSD)

Common Name
Isobutyl 10-undecenoate
Systematic Name
2-methylpropyl undec-10-enoate
Synonyms
  • SFE 3:0(2Me)/10:1(9)
  • SFE(3:0(2Me)/10:1(9))
LM ID
LMFA07010914
Formula
C15H28O2
Exact Mass
Calculate m/z
240.20893
Sum Composition
SFE 15:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Fatty esters [FA07]
Short fatty esters [FA0710]

String Representations

InChiKey (Click to copy)
YXJSBTYPYXKWDB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H28O2/c1-4-5-6-7-8-9-10-11-12-15(16)17-13-14(2)3/h4,14H,1,5-13H2,2-3H3
SMILES (Click to copy)
O=C(CCCCCCCCC=C)OCC(C)C

Other Databases

HMDB ID
HMDB0032347
CHEBI ID
171849
PubChem CID
79457

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
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
11th Jul 2023