Structure Database (LMSD)

Common Name
SFE 10:1(4Z)/2:0
Systematic Name
4Z-Decenyl acetate
Synonyms
  • SFE(10:1(4Z)/2:0)
LM ID
LMFA07010207
Formula
C12H22O2
Exact Mass
Calculate m/z
198.16198
Sum Composition
SFE 12:1
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
Batrachedra amydraula (#1729471)
Insecta (#50557)
Identification of the sex pheromone of the lesser date moth, Batrachedra amydraula, using sequential SPME auto-sampling,
Tetrahedron Letts, 2011

String Representations

InChiKey (Click to copy)
OVBJYGLPPVUWAV-FPLPWBNLSA-N
InChi (Click to copy)
InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h7-8H,3-6,9-11H2,1-2H3/b8-7-
SMILES (Click to copy)
O(C(=O)C)CCC/C=C\CCCCC

Other Databases

HMDB ID
HMDB0032214
CHEBI ID
171827
PubChem CID
5352830

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 228.46
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.75
Molar Refractivity 59.64

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Created at
-
Updated at
31st Jul 2023