Structure Database (LMSD)

OH
Common Name
3,6,8-dodecatrien-1-ol
Systematic Name
3,6,8-dodecatrien-1-ol
Synonyms
  • dodeca-3,6,8-trien-1-ol
LM ID
LMFA05000058
Formula
C12H20O
Exact Mass
Calculate m/z
180.151415
Sum Composition
FOH 12:3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty alcohols [FA05]

String Representations

InChiKey (Click to copy)
KWVQYNPBWXUHHT-ZYXMWXIMSA-N
InChi (Click to copy)
InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h4-7,9-10,13H,2-3,8,11-12H2,1H3/b5-4+,7-6+,10-9+
SMILES (Click to copy)
C(CC)/C=C/C=C/C/C=C/CCO

References

Other Databases

CHEBI ID
165506
PubChem CID
5283307

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 217.03
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 3.51
Molar Refractivity 59.14

Reactions

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Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022