Structure Database (LMSD)

O O
Common Name
butryl butyrate
Systematic Name
butryl butyrate
Synonyms
  • WE(4:0/4:0)
LM ID
LMFA07010418
Formula
C8H16O2
Exact Mass
Calculate m/z
144.11503
Sum Composition
SFE 8:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry
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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)
XUPYJHCZDLZNFP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3
SMILES (Click to copy)
O=C(CCC)OCCCC

References

Comments
Pherobase Semiochemicals

Other Databases

HMDB ID
HMDB0039620
CHEBI ID
87429
PubChem CID
7983

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 161.90
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 2.41
Molar Refractivity 41.26

Admin

Created at
-
Updated at
6th Jun 2022