Structure Database (LMSD)

Common Name
pentadecyl butyrate
Systematic Name
pentadecyl butyrate
Synonyms
  • WE(15:0/4:0)
LM ID
LMFA07010427
Formula
C19H38O2
Exact Mass
Calculate m/z
298.28718
Sum Composition
SFE 19:0
Status
Curated
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

String Representations

InChiKey (Click to copy)
BLUCLILBMXJZEJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19(20)17-4-2/h3-18H2,1-2H3
SMILES (Click to copy)
O=C(CCC)OCCCCCCCCCCCCCCC

Other Databases

CHEBI ID
179622
PubChem CID
560582

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 352.20
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 6.71
Molar Refractivity 92.05

Admin

Created at
-
Updated at
6th Jun 2022