Structure Database (LMSD)

OH
Common Name
3,5-dodecadien-1-ol
Systematic Name
3,5-dodecadien-1-ol
Synonyms
  • dodeca-3,5-dien-1-ol
LM ID
LMFA05000033
Formula
C12H22O
Exact Mass
Calculate m/z
182.167065
Sum Composition
FOH 12:2
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)
QXDRQDKWTDCHOZ-XBLVEGMJSA-N
InChi (Click to copy)
InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h7-10,13H,2-6,11-12H2,1H3/b8-7+,10-9+
SMILES (Click to copy)
C(CC)CCC/C=C/C=C/CCO

References

Other Databases

PubChem CID
5283285

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 219.67
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 3.74
Molar Refractivity 59.23

Reactions

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Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022