Structure Database (LMSD)

Common Name
1,16-Heptadecadien-3-one
Systematic Name
1,16-Heptadecadien-3-one
Synonyms
LM ID
LMFA12000191
Status
Active
Exact Mass
Calculate m/z
252.245315
Formula


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)
BJUAHDDPXUJMLE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H32O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h3H,1,4-16H2,2H3
SMILES (Click to copy)
CCC(=O)CCCCCCCCCCCCC=C

References

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 306.17
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.83
Molar Refractivity 80.90

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Created at
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Updated at
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