Structure Database (LMSD)

Common Name
Heptadecan-9-one
Systematic Name
Heptadecan-9-one
Synonyms
LM ID
LMFA12000196
Formula
C17H34O
Exact Mass
Calculate m/z
254.260966
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

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

String Representations

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

Other Databases

PubChem CID
10887

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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