Structure Database (LMSD)

Common Name
2,4-dimethyl-2-eicosenoic acid
Systematic Name
2,4-dimethyl-2-eicosenoic acid
Synonyms
LM ID
LMFA01020134
Status
Active
Exact Mass
Calculate m/z
338.31848
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)
LHBAARNMEIXEDK-XUTLUUPISA-N
InChi (Click to copy)
InChI=1S/C22H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(2)19-21(3)22(23)24/h19-20H,4-18H2,1-3H3,(H,23,24)/b21-19+
SMILES (Click to copy)
C(CCCCCCCCCC)CCCCCC(C)/C=C(\C)/C(=O)O

References

Other Databases

CHEBI ID
LIPIDBANK ID
DFA7102
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 401.46
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.52
Molar Refractivity 105.49

Admin

Created at
-
Updated at
-