Structure Database (LMSD)

O O
Common Name
7-Methyloctyl 7-methyloctanoate
Systematic Name
7-Methyloctyl 7-methyloctanoate
Synonyms
  • WE(8:0(7Me)/8:0(7Me))
LM ID
LMFA07010601
Formula
C18H36O2
Exact Mass
Calculate m/z
284.27153
Sum Composition
WE 18:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Wax monoesters [FA0701]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]

String Representations

InChiKey (Click to copy)
LHWUVOILCRBENG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H36O2/c1-16(2)12-8-5-6-11-15-20-18(19)14-10-7-9-13-17(3)4/h16-17H,5-15H2,1-4H3
SMILES (Click to copy)
O=C(CCCCCC(C)C)OCCCCCCC(C)C

References

Comments
Pherobase Semiochemicals

Other Databases

PubChem CID
9882283

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 334.90
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 6.03
Molar Refractivity 87.30

Admin

Created at
-
Updated at
-