Structure Database (LMSD)

OH O
Common Name
3,4-decadienoic acid
Systematic Name
3,4-decadienoic acid
Synonyms
  • C10:2n-6,7
LM ID
LMFA01030205
Formula
Exact Mass
Calculate m/z
168.11503
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
ZKAHUHMZOOIHMU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h6,8H,2-5,9H2,1H3,(H,11,12)
SMILES (Click to copy)
C(CC=C=CCCCCC)(=O)O

References

Other Databases

LIPIDAT ID
2635
PubChem CID

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 2.75
Molar Refractivity 49.05

Admin

Created at
-
Updated at
-