Structure Database (LMSD)

Common Name
decyl formate
Systematic Name
decyl formate
Synonyms
  • WE(10:0/1:0)
LM ID
LMFA07010408
Formula
C11H22O2
Exact Mass
Calculate m/z
186.16198
Sum Composition
SFE 11:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Drypta (#178233)
Insecta (#50557)
Chemical Defense in Carabids and Its Bearing on Phylogeny,
Carabid Beetles, 1979

String Representations

InChiKey (Click to copy)
BCLJZFLDSCTULJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-13-11-12/h11H,2-10H2,1H3
SMILES (Click to copy)
O=COCCCCCCCCCC

Other Databases

CHEBI ID
179392
PubChem CID
79541
PDB ID
DFD

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 213.80
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.58
Molar Refractivity 55.12

Admin

Created at
-
Updated at
6th Jun 2022