Structure Database (LMSD)
Common Name
Dodecyl propionate
Systematic Name
dodecyl propanoate
Synonyms
3D model of Dodecyl propionate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
FVGJPCFYGPKBKJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2/h3-14H2,1-2H3
SMILES (Click to copy)
O=C(CC)OCCCCCCCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
17
Rings
0
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
283.00
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
5.15
Molar Refractivity
73.58
Admin
Created at
-
Updated at
6th Jun 2022