Structure Database (LMSD)

Common Name
(Z)-hexadec-13-enal
Systematic Name
Hexadec-13Z-enal
Synonyms
LM ID
LMFA06000265
Status
Active
Exact Mass
Calculate m/z
238.229665
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)
DURQBSPXQWPALK-ARJAWSKDSA-N
InChi (Click to copy)
InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h3-4,16H,2,5-15H2,1H3/b4-3-
SMILES (Click to copy)
C(CCCC/C=C\CC)CCCCCCC([H])=O

References

Reference
Biosynthesis and function of polyacetylenes and allied natural products. Robert E. Minto and Brenda J. Blacklock. Progress in Lipid Research. Volume 47, Dec 2007, pp. 233-306. https://www.sciencedirect.com/science/article/pii/S0163782708000155?via%3Dihub

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 288.87
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.44
Molar Refractivity 76.28

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Created at
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Updated at
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