Structure Database (LMSD)

O O
Common Name
SFE 8:0(4Me)/2:0
Systematic Name
4-Methyloctyl acetate
Synonyms
  • SFE(8:0(4Me)/2:0)
LM ID
LMFA07010196
Formula
C11H22O2
Exact Mass
Calculate m/z
186.16198
Sum Composition
SFE 11:0
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]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]

String Representations

InChiKey (Click to copy)
DDCOSYUAKAARCK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H22O2/c1-4-5-7-10(2)8-6-9-13-11(3)12/h10H,4-9H2,1-3H3
SMILES (Click to copy)
O(C(=O)C)CCCC(C)CCCC

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Oryctes agamemnon (#915460)
Insecta (#50557)
Identification of the Aggregation Pheromone of the Date Palm Root Borer Oryctes agamemnon.,
J Chem Ecol, 2015
Pubmed ID: 25900246

Other Databases

CHEBI ID
179388
PubChem CID
21932698

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 213.80
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.44
Molar Refractivity 55.05

Admin

Created at
-
Updated at
10th Jul 2023