Structure Database (LMSD)

Common Name
rosafluine
Systematic Name
(2E,4E,6E,8E,10E)-4,9-dimethyldodeca-2,4,6,8,10-pentaene-1,12-diol
Synonyms
  • 4,9-dimethyldodeca-2,4,6,8,10-pentaen-diol
LM ID
LMFA05000696
Formula
C14H20O2
Exact Mass
Calculate m/z
220.14633
Sum Composition
FOH 14:5;O
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)
VDPMPASLASNGIB-PSAUJTBTSA-N
InChi (Click to copy)
InChI=1S/C14H20O2/c1-13(9-5-11-15)7-3-4-8-14(2)10-6-12-16/h3-10,15-16H,11-12H2,1-2H3/b4-3+,9-5+,10-6+,13-7+,14-8+
SMILES (Click to copy)
OC/C=C/C(/C)=C/C=C/C=C(\C)/C=C/CO

References

Other Databases

CHEBI ID
53172
PubChem CID
14135805

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 255.14
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 3.10
Molar Refractivity 70.09

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Updated at
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