Structure database (LMSD)

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LM IDLMFA07010418
Common Namebutryl butyrate
Systematic Namebutryl butyrate
SynonymsWE(4:0/4:0)
Exact Mass
144.1150 (neutral)    Calculate m/z:
FormulaC8H16O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
PubChem CID7983
HMDB IDHMDB0039620
InChIKeyXUPYJHCZDLZNFP-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3
SMILESO=C(CCC)OCCCC
MS SpectraView MoNA MS spectra     
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms10Rings0Aromatic Rings0Rotatable Bonds6
 van der Waals
Molecular Volume
161.90Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP2.41Molar
Refractivity
41.26