Structure Database (LMSD)

Common Name
SFE 8:1(3Z)/2:0
Systematic Name
3Z-Octenyl acetate
Synonyms
  • SFE(8:1(3Z)/2:0)
LM ID
LMFA07010195
Formula
C10H18O2
Exact Mass
Calculate m/z
170.13068
Sum Composition
SFE 10:1
Status
Active
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

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Leptocorisa oratoria (#2724160)
Insecta (#50557)
Defensive secretion of rice bug,Leptocorisa oratorius fabricius, (Hemiptera: Coreidae): A unique chemical combination and its toxic, repellent, and alarm properties.,
J Chem Ecol, 1993
Pubmed ID: 24249024

String Representations

InChiKey (Click to copy)
PHXNWSHRRVPWLO-SREVYHEPSA-N
InChi (Click to copy)
InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-12-10(2)11/h6-7H,3-5,8-9H2,1-2H3/b7-6-
SMILES (Click to copy)
O(C(=O)C)CC/C=C\CCCC

Other Databases

CHEBI ID
180239
PubChem CID
5363208

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 193.86
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 2.97
Molar Refractivity 50.41

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Created at
-
Updated at
31st Jul 2023