Structure Database (LMSD)

Common Name
SFE 9:0/2:0
Systematic Name
Nonyl acetate
Synonyms
  • SFE(9:0/2:0)
LM ID
LMFA07010200
Formula
C11H22O2
Exact Mass
Calculate m/z
186.16198
Sum Composition
SFE 11:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Short fatty esters [FA0710]

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Helluomorphoides latitarsis (#170278)
Insecta (#50557)
Chemical composition of the defensive secretion in carabid beetles and its importance as a taxonomic character,
Proc Royal Entomol Soc, 1968

String Representations

InChiKey (Click to copy)
GJQIMXVRFNLMTB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h3-10H2,1-2H3
SMILES (Click to copy)
O(C(=O)C)CCCCCCCCC

Other Databases

HMDB ID
HMDB0040266
CHEBI ID
87511
PubChem CID
8918

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 213.80
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.58
Molar Refractivity 55.12

Admin

Created at
-
Updated at
7th Jul 2023