Structure Database (LMSD)

Common Name
Methyl 2,4,8-trimethylundecanoate
Systematic Name
Methyl 2,4,8-trimethylundecanoate
Synonyms
  • Methyl 2,4,8-trimethylundecanoate
LM ID
LMFA07010174
Formula
C15H30O2
Exact Mass
Calculate m/z
242.22458
Sum Composition
SFE 15:0
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Short fatty esters [FA0710]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]

Biological Context

String Representations

InChiKey (Click to copy)
AJUPMLAMFDCXCY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H30O2/c1-6-8-12(2)9-7-10-13(3)11-14(4)15(16)17-5/h12-14H,6-11H2,1-5H3
SMILES (Click to copy)
C(C(C)CC(C)CCCC(C)CCC)(=O)OC

Other Databases

CHEBI ID
196014
PubChem CID
560442

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 283.00
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.43
Molar Refractivity 72.88

Admin

Created at
-
Updated at
6th Jun 2022