Structure Database (LMSD)

Common Name
2,5-undecadienal
Systematic Name
2,5-undecadienal
Synonyms
LM ID
LMFA06000068
Status
Active
Exact Mass
Calculate m/z
166.135765
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)
XCXOPZBEPMNLSI-AVQMFFATSA-N
InChi (Click to copy)
InChI=1S/C11H18O/c1-2-3-4-5-6-7-8-9-10-11-12/h6-7,9-11H,2-5,8H2,1H3/b7-6+,10-9+
SMILES (Click to copy)
C(C)CCC/C=C/C/C=C/C([H])=O

References

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 199.73
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 3.27
Molar Refractivity 53.10

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Created at
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Updated at
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