Structure Database (LMSD)

Common Name
4,10-undecadiynal
Systematic Name
4,10-undecadiynal
Synonyms
LM ID
LMFA06000070
Status
Active
Exact Mass
Calculate m/z
162.104465
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)
UWQTVOGCRQIRPD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H14O/c1-2-3-4-5-6-7-8-9-10-11-12/h1,11H,3-6,9-10H2
SMILES (Click to copy)
C(C#CCCCCC#C)CC([H])=O

References

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 194.45
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 2.16
Molar Refractivity 50.38

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Created at
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Updated at
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