Structure Database (LMSD)

O
Common Name
Tetradecan-2-one
Systematic Name
Tetradecan-2-one
Synonyms
LM ID
LMFA12000177
Formula
C14H28O
Exact Mass
Calculate m/z
212.214015
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
POQLVOYRGNFGRM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H28O/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15/h3-13H2,1-2H3
SMILES (Click to copy)
CC(=O)CCCCCCCCCCCC

References

Other Databases

HMDB ID
HMDB0030924
CHEBI ID
89818
PubChem CID
75364

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 256.91
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 4.89
Molar Refractivity 67.14

Admin

Created at
-
Updated at
-