Structure Database (LMSD)

Common Name
7E,9Z-Dodecadienal
Systematic Name
7E,9Z-Dodecadienal
Synonyms
LM ID
LMFA06000158
Formula
C12H20O
Exact Mass
Calculate m/z
180.151415
Sum Composition
FAL 12:2
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)
QMHYWEQZQADRCD-DNVGVPOPSA-N
InChi (Click to copy)
InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h3-6,12H,2,7-11H2,1H3/b4-3-,6-5+
SMILES (Click to copy)
C(CCCCC/C=C/C=C\CC)(=O)[H]

Other Databases

PubChem CID
44256571

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 217.03
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 3.66
Molar Refractivity 57.72

Admin

Created at
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Updated at
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