Structure Database (LMSD)

O O
Common Name
Methyl 2,6,10-trimethyl-dodecanoate
Systematic Name
Methyl 2,6,10-trimethyl-dodecanoate
Synonyms
  • WE(1:0/12:0(2Me,6Me,10Me))
LM ID
LMFA07010485
Formula
C16H32O2
Exact Mass
Calculate m/z
256.24023
Sum Composition
SFE 16:0
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]
Branched fatty acids [FA0102]

String Representations

InChiKey (Click to copy)
CYGVOXJONVUXQO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H32O2/c1-6-13(2)9-7-10-14(3)11-8-12-15(4)16(17)18-5/h13-15H,6-12H2,1-5H3
SMILES (Click to copy)
O=C(C(C)CCCC(C)CCCC(C)CC)OC

References

Comments
Pherobase Semiochemicals

Other Databases

CHEBI ID
179735
PubChem CID
11459540

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 300.30
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.82
Molar Refractivity 77.50

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Created at
-
Updated at
6th Jun 2022