Structure Database (LMSD)

Common Name
2,4,6-trimethyl-2,15-tetracosadienoic acid
Systematic Name
2,4,6-trimethyl-2,15-tetracosadienoic acid
Synonyms
LM ID
LMFA01030750
Status
Active
Exact Mass
Calculate m/z
406.38108
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
KPNSOKYZIINHDY-GVKIQVMWSA-N
InChi (Click to copy)
InChI=1S/C27H50O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(2)22-25(3)23-26(4)27(28)29/h12-13,23-25H,5-11,14-22H2,1-4H3,(H,28,29)/b13-12+,26-23+
SMILES (Click to copy)
C(/C(/C)=C/C(C)CC(C)CCCCCCCC/C=C/CCCCCCCC)(=O)O

References

Other Databases

LIPIDAT ID
6822
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 0
Aromatic Rings 0
Rotatable Bonds 20
Van der Waals Molecular Volume 485.32
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 9.11
Molar Refractivity 128.41

Admin

Created at
-
Updated at
-