Structure Database (LMSD)

O O
Common Name
8E-Tridecenyl acetate
Systematic Name
8E-Tridecenyl acetate
Synonyms
LM ID
LMFA07010267
Formula
C15H28O2
Exact Mass
Calculate m/z
240.20893
Sum Composition
SFE 15:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

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]

String Representations

InChiKey (Click to copy)
PXLZBHTYUDYDTH-VOTSOKGWSA-N
InChi (Click to copy)
InChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h6-7H,3-5,8-14H2,1-2H3/b7-6+
SMILES (Click to copy)
O(C(=O)C)CCCCCCC/C=C/CCCC

References

Comments
Pherobase

Other Databases

PubChem CID
15705005

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
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