Structure Database (LMSD)

Common Name
dodecyl formate
Systematic Name
dodecyl formate
Synonyms
  • WE(12:0/1:0)
LM ID
LMFA07010409
Formula
C13H26O2
Exact Mass
Calculate m/z
214.19328
Sum Composition
SFE 13:0
Status
Active
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Main

Classification

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

String Representations

InChiKey (Click to copy)
WPSGFSPBRBRLIQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14/h13H,2-12H2,1H3
SMILES (Click to copy)
O=COCCCCCCCCCCCC

References

Comments
Pherobase Semiochemicals

Other Databases

CHEBI ID
180114
PubChem CID
119919

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 248.40
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.37
Molar Refractivity 64.35

Admin

Created at
-
Updated at
6th Jun 2022