Structure Database (LMSD)

Common Name
1-Heptadecen-3-one
Systematic Name
1-Heptadecen-3-one
Synonyms
LM ID
LMFA12000194
Status
Active
Exact Mass
Calculate m/z
254.260965
Formula
C17H34O
Show lipids differing only in stereochemistry/bond geometry
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Oxygenated hydrocarbons [FA12]

String Representations

InChiKey (Click to copy)
PXJYBWGEOVYLSM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H34O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h3-16H2,1-2H3
SMILES (Click to copy)
CCC(=O)CCCCCCCCCCCCCC

References

Other Databases

PubChem CID
522816

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

Admin

Created at
-
Updated at
-