Structure Database (LMSD)

Common Name
5Z,7E-Dodecadienal
Systematic Name
5Z,7E-Dodecadienal
Synonyms
LM ID
LMFA06000165
Status
Active
Exact Mass
Calculate m/z
180.151415
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
LDQDYNHCLZNOFB-MDAAKZFYSA-N
InChi (Click to copy)
InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h5-8,12H,2-4,9-11H2,1H3/b6-5+,8-7-
SMILES (Click to copy)
C(CCC/C=C\C=C\CCCC)(=O)[H]

References

Comments
Pherobase

Other Databases

PubChem CID

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

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Created at
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Updated at
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