Structure Database (LMSD)

Common Name
Tetradecyl acetate
Systematic Name
Tetradecyl acetate
Synonyms
LM ID
LMFA07010331
Formula
C16H32O2
Exact Mass
Calculate m/z
256.24023
Sum Composition
SFE 16:0
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)
IOUUIFSIQMVYKP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h3-15H2,1-2H3
SMILES (Click to copy)
O(C(=O)C)CCCCCCCCCCCCCC

Other Databases

CHEBI ID
179737
PubChem CID
12531

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 300.30
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.54
Molar Refractivity 78.20

Admin

Created at
-
Updated at
6th Jun 2022