Structure Database (LMSD)

Common Name
4E,6E-decadienoic acid
Systematic Name
4E,6E-decadienoic acid
Synonyms
  • trans-4, trans-6-decadienoic acid
  • C10:2n-4,6
LM ID
LMFA01030108
Status
Active
Exact Mass
Calculate m/z
168.11503
Formula
C10H16O2
Abbrev
FA 10:2
Show lipids differing only in stereochemistry/bond geometry
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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]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
PPOWOHYQDRHGKT-YTXTXJHMSA-N
InChi (Click to copy)
InChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h4-7H,2-3,8-9H2,1H3,(H,11,12)/b5-4+,7-6+
SMILES (Click to copy)
CCC/C=C/C=C/CCC(=O)O

References

Other Databases

LIPIDBANK ID
DFA0147
PubChem CID
5282786

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 191.22
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 2.76
Molar Refractivity 50.06

Reactions

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Created at
-
Updated at
25th Apr 2022