Structure Database (LMSD)

Common Name
Dodecyl propionate
Systematic Name
dodecyl propanoate
Synonyms
LM ID
LMFA07010843
Formula
C15H30O2
Exact Mass
Calculate m/z
242.22458
Sum Composition
SFE 15:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

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

References

Other Databases

HMDB ID
HMDB0032250
CHEBI ID
172094
PubChem CID
80354

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