Structure Database (LMSD)

Common Name
Hexadecyl acetate
Systematic Name
Hexadecyl acetate
Synonyms
LM ID
LMFA07010379
Formula
C18H36O2
Exact Mass
Calculate m/z
284.27153
Sum Composition
SFE 18:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Short fatty esters [FA0710]

References

Comments
Pherobase

String Representations

InChiKey (Click to copy)
LSTDYDRCKUBPDI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h3-17H2,1-2H3
SMILES (Click to copy)
O(C(=O)C)CCCCCCCCCCCCCCCC

Other Databases

CHEBI ID
146185
PubChem CID
12393

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 334.90
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 6.32
Molar Refractivity 87.44

Admin

Created at
-
Updated at
6th Jun 2022