Structure Database (LMSD)

Common Name
1-Heptadecen-3-one
Systematic Name
1-Heptadecen-3-one
Synonyms
LM ID
LMFA12000194
Formula
C17H34O
Exact Mass
Calculate m/z
254.260966
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

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

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

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Created at
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Updated at
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