Structure Database (LMSD)

Common Name
6,14-Dimethyloctadecan-2-one
Systematic Name
6,14-Dimethyloctadecan-2-one
Synonyms
LM ID
LMFA12000201
Formula
C20H40O
Exact Mass
Calculate m/z
296.307916
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)
HKRYKDQSFPAHCR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H40O/c1-5-6-13-18(2)14-10-8-7-9-11-15-19(3)16-12-17-20(4)21/h18-19H,5-17H2,1-4H3
SMILES (Click to copy)
CC(=O)CCCC(C)CCCCCCCC(C)CCCC

Other Databases

CHEBI ID
178683
PubChem CID
46193083

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 360.71
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.94
Molar Refractivity 94.70

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Created at
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Updated at
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