Structure Database (LMSD)

Common Name
7-Methyloctyl 9-methyldecanoate
Systematic Name
7-Methyloctyl 9-methyldecanoate
Synonyms
  • WE(8:0(7Me)/10:0(9Me))
LM ID
LMFA07010598
Formula
C20H40O2
Exact Mass
Calculate m/z
312.30283
Sum Composition
WE 20:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
HGOPJJYYEOFSBV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H40O2/c1-18(2)14-10-6-5-7-12-16-20(21)22-17-13-9-8-11-15-19(3)4/h18-19H,5-17H2,1-4H3
SMILES (Click to copy)
O=C(CCCCCCCC(C)C)OCCCCCCC(C)C

Other Databases

CHEBI ID
179714
PubChem CID
56936007

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 369.50
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 6.81
Molar Refractivity 96.53

Admin

Created at
-
Updated at
-