Structure Database (LMSD)

Common Name
2,6-Dimethyl-8-hydroxy-2E,6E-octadienal
Systematic Name
2,6-Dimethyl-8-hydroxy-2E,6E-octadienal
Synonyms
LM ID
LMFA06000130
Formula
C10H16O2
Exact Mass
Calculate m/z
168.11503
Sum Composition
FAL 10:2;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty aldehydes [FA06]

References

Comments
Pherobase

String Representations

InChiKey (Click to copy)
FRKZCCBKUZTFCA-TXFIJWAUSA-N
InChi (Click to copy)
InChI=1S/C10H16O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-6,8,11H,3-4,7H2,1-2H3/b9-6+,10-5+
SMILES (Click to copy)
C(/C(/C)=C/CC/C(/C)=C/CO)(=O)[H]

Other Databases

CHEBI ID
64236
PubChem CID
11412603

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 191.22
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 2.14
Molar Refractivity 50.39

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Created at
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Updated at
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