Structure Database (LMSD)

Common Name
1,3,5,7-Tetramethyldecyl formate
Systematic Name
1,3,5,7-Tetramethyldecyl formate
Synonyms
  • WE(10:0(1Me,3Me,5Me,7Me)/1:0)
LM ID
LMFA07010648
Formula
C15H30O2
Exact Mass
Calculate m/z
242.22458
Sum Composition
SFE 15:0
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]
Branched fatty acids [FA0102]

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
ZHNKUABLESCWOF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H30O2/c1-6-7-12(2)8-13(3)9-14(4)10-15(5)17-11-16/h11-15H,6-10H2,1-5H3
SMILES (Click to copy)
O=COC(C)CC(C)CC(C)CC(C)CCC

Other Databases

CHEBI ID
196015
PubChem CID
13035164

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 283.00
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.71
Molar Refractivity 73.37

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Created at
-
Updated at
6th Jun 2022