Structure Database (LMSD)

Common Name
SFE 11:0/3:0(2Me)
Systematic Name
Undecyl isobutyrate
Synonyms
  • SFE(11:0/3:0(2Me))
LM ID
LMFA07010680
Formula
C15H30O2
Exact Mass
Calculate m/z
242.22458
Sum Composition
SFE 15:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]
Fatty esters [FA07]
Short fatty esters [FA0710]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Polyergus rufescens (#72785)
Insecta (#50557)
Sneak in or repel your enemy: Dufour’s gland repellent as a strategy for successful usurpation in the slave-maker Polyergus rufescens,
Chemoecology, 2000

String Representations

InChiKey (Click to copy)
ZINZKLWPDCKZJA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-12-13-17-15(16)14(2)3/h14H,4-13H2,1-3H3
SMILES (Click to copy)
O=C(C(C)C)OCCCCCCCCCCC

Other Databases

CHEBI ID
196016
PubChem CID
229716

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 283.00
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.00
Molar Refractivity 73.51

Admin

Created at
-
Updated at
11th Jul 2023