Structure Database (LMSD)
Common Name
tetradecyl butyrate
Systematic Name
tetradecyl butyrate
Synonyms
- WE(14:0/4:0)
3D model of tetradecyl butyrate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
KIRBCTVJSVTCCQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-20-18(19)16-4-2/h3-17H2,1-2H3
SMILES (Click to copy)
O=C(CCC)OCCCCCCCCCCCCCC
References
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