Structure Database (LMSD)

Common Name
5Z-Undecenyl acetate
Systematic Name
5Z-Undecenyl acetate
Synonyms
LM ID
LMFA07010215
Formula
C13H24O2
Exact Mass
Calculate m/z
212.17763
Sum Composition
SFE 13:1
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

String Representations

InChiKey (Click to copy)
DGWXCKOENZVCHY-FPLPWBNLSA-N
InChi (Click to copy)
InChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12-15-13(2)14/h7-8H,3-6,9-12H2,1-2H3/b8-7-
SMILES (Click to copy)
O(C(=O)C)CCCC/C=C\CCCCC

Other Databases

CHEBI ID
195949
PubChem CID
44256528

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 245.76
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.14
Molar Refractivity 64.26

Admin

Created at
-
Updated at
6th Jun 2022