Structure Database (LMSD)

Common Name
6-ethyl-dodecanoic acid
Systematic Name
6-ethyl-dodecanoic acid
Synonyms
LM ID
LMFA01020160
Status
Active
Exact Mass
Calculate m/z
228.20893
Formula
C14H28O2
Abbrev
FA 14:0
Show lipids differing only in stereochemistry/bond geometry
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

String Representations

InChiKey (Click to copy)
AFEHRLAIHHGYEJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H28O2/c1-3-5-7-10-13(4-2)11-8-6-9-12-14(15)16/h13H,3-12H2,1-2H3,(H,15,16)
SMILES (Click to copy)
C(CC)CCC(CC)CCCCCC(=O)O

References

Other Databases

CHEBI ID
179791
LIPIDBANK ID
DFA7128
PubChem CID
5282689

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 265.70
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.63
Molar Refractivity 68.64

Admin

Created at
-
Updated at
-