Structure Database (LMSD)

O O
Common Name
7Z,9E,11-Dodecatrienyl acetate
Systematic Name
7Z,9E,11-Dodecatrienyl acetate
Synonyms
LM ID
LMFA07010251
Formula
C14H22O2
Exact Mass
Calculate m/z
222.16198
Sum Composition
SFE 14:3
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)
MJZHEIHTZZJYOP-DEQVHDEQSA-N
InChi (Click to copy)
InChI=1S/C14H22O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h3-7H,1,8-13H2,2H3/b5-4+,7-6-
SMILES (Click to copy)
O(C(=O)C)CCCCCC/C=C\C=C\C=C

References

Comments
Pherobase

Other Databases

CHEBI ID
180065
PubChem CID
44256534

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 257.78
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.08
Molar Refractivity 68.69

Admin

Created at
-
Updated at
6th Jun 2022