Structure Database (LMSD)

Common Name
3-oxo-9Z-Hexadecenal
Systematic Name
3-oxo-9Z-Hexadecenal
Synonyms
LM ID
LMFA06000215
Status
Active
Exact Mass
Calculate m/z
252.20893
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)
IILYOAZJRNNBKP-FPLPWBNLSA-N
InChi (Click to copy)
InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(18)14-15-17/h7-8,15H,2-6,9-14H2,1H3/b8-7-
SMILES (Click to copy)
C(CC(=O)CCCCC/C=C\CCCCCC)(=O)[H]

References

Comments
Pherobase

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 295.02
Topological Polar Surface Area 34.14
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.62
Molar Refractivity 76.67

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Created at
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Updated at
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