Structure Database (LMSD)

Common Name
Isopropyl 5Z-dodecenoate
Systematic Name
Isopropyl 5Z-dodecenoate
Synonyms
  • WE(2:0(1Me)/12:1(5Z))
LM ID
LMFA07010665
Formula
C15H28O2
Exact Mass
Calculate m/z
240.20893
Sum Composition
SFE 15:1
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]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
FZKDUKQTAKMKBR-KTKRTIGZSA-N
InChi (Click to copy)
InChI=1S/C15H28O2/c1-4-5-6-7-8-9-10-11-12-13-15(16)17-14(2)3/h9-10,14H,4-8,11-13H2,1-3H3/b10-9-
SMILES (Click to copy)
O=C(CCC/C=C\CCCCCC)OC(C)C

Other Databases

PubChem CID
56936034

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 280.36
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.92
Molar Refractivity 73.49

Admin

Created at
-
Updated at
6th Jun 2022