Structure Database (LMSD)

Common Name
Heptadecan-2-one
Systematic Name
Heptadecan-2-one
Synonyms
LM ID
LMFA12000046
Status
Active
Exact Mass
Calculate m/z
254.260965
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)
TVTCXPXLRKTHAU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18/h3-16H2,1-2H3
SMILES (Click to copy)
CC(=O)CCCCCCCCCCCCCCC

References

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 308.81
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.06
Molar Refractivity 80.99

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Created at
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Updated at
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