Structure Database (LMSD)

Common Name
Methyl 2,6,10-trimethyl-tridecanoate
Systematic Name
Methyl 2,6,10-trimethyl-tridecanoate
Synonyms
  • WE(1:0/13:0(2Me,6Me,10Me))
LM ID
LMFA07010487
Formula
C17H34O2
Exact Mass
Calculate m/z
270.25588
Sum Composition
SFE 17:0
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)
AJQKJNYTUWSMBZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H34O2/c1-6-9-14(2)10-7-11-15(3)12-8-13-16(4)17(18)19-5/h14-16H,6-13H2,1-5H3
SMILES (Click to copy)
O=C(C(C)CCCC(C)CCCC(C)CCC)OC

Other Databases

CHEBI ID
179968
PubChem CID
560276

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 317.60
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.21
Molar Refractivity 82.12

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Created at
-
Updated at
6th Jun 2022