Structure Database (LMSD)

O O
Common Name
decyl butyrate
Systematic Name
decyl butyrate
Synonyms
  • WE(10:0/4:0)
LM ID
LMFA07010422
Formula
C14H28O2
Exact Mass
Calculate m/z
228.20893
Sum Composition
SFE 14:0
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)
PUCQHFICPFUPKW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-13-16-14(15)12-4-2/h3-13H2,1-2H3
SMILES (Click to copy)
O=C(CCC)OCCCCCCCCCC

References

Comments
Pherobase Semiochemicals

Other Databases

HMDB ID
HMDB0037312
CHEBI ID
179779
PubChem CID
229387

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 265.70
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.76
Molar Refractivity 68.97

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Created at
-
Updated at
6th Jun 2022