Structure Database (LMSD)

Common Name
7E,9E-Dodecadienyl acetate
Systematic Name
7E,9E-Dodecadienyl acetate
Synonyms
LM ID
LMFA07010234
Formula
C14H24O2
Exact Mass
Calculate m/z
224.17763
Sum Composition
SFE 14:2
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)
LLRZUAWETKPZJO-YTXTXJHMSA-N
InChi (Click to copy)
InChI=1S/C14H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h4-7H,3,8-13H2,1-2H3/b5-4+,7-6+
SMILES (Click to copy)
O(C(=O)C)CCCCCC/C=C/C=C/CC

Other Databases

CHEBI ID
196046
PubChem CID
1794808

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 260.42
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.31
Molar Refractivity 68.78

Admin

Created at
-
Updated at
6th Jun 2022