Structure Database (LMSD)

Common Name
SFE 10:2(4Z,7Z)/2:0
Systematic Name
4Z,7Z-Decadienyl acetate
Synonyms
  • SFE(10:2(4Z,7Z)/2:0)
LM ID
LMFA07100009
Formula
C12H20O2
Exact Mass
Calculate m/z
196.14633
Sum Composition
SFE 12:2
Status
Curated
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

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)
HXYNDOXQRMFGPQ-UTOQUPLUSA-N
InChi (Click to copy)
InChI=1S/C12H20O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h4-5,7-8H,3,6,9-11H2,1-2H3/b5-4-,8-7-
SMILES (Click to copy)
C(CC/C=C\C/C=C\CC)OC(=O)C

Other Databases

PubChem CID
101958960

Calculated Physicochemical Properties

Heavy Atoms 14
Rings
Aromatic Rings
Rotatable Bonds 8
Van der Waals Molecular Volume 225.82
Topological Polar Surface Area 26.30
Hydrogen Bond Donors
Hydrogen Bond Acceptors 2
logP 3.53
Molar Refractivity 59.54

Admin

Created at
31st Jul 2023
Updated at
31st Jul 2023