Structure Database (LMSD)

Common Name
3,7,11-Trimethyl-2,6,10-dodecatrienyl acetate
Systematic Name
3,7,11-Trimethyl-2,6,10-dodecatrienyl acetate
Synonyms
LM ID
LMFA07010254
Formula
C17H28O2
Exact Mass
Calculate m/z
264.20893
Sum Composition
SFE 17:3
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]
Branched fatty acids [FA0102]

References

Comments
Pherobase

String Representations

InChiKey (Click to copy)
ZGIGZINMAOQWLX-CYRKZOTCSA-N
InChi (Click to copy)
InChI=1S/C17H28O2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h8,10,12H,6-7,9,11,13H2,1-5H3/b15-10-,16-12-
SMILES (Click to copy)
O(C(=O)C)C/C=C(/C)\CC/C=C(/C)\CC/C=C(\C)/C

Other Databases

PubChem CID
1551479

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 309.68
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.25
Molar Refractivity 82.54

Admin

Created at
-
Updated at
6th Jun 2022