Structure Database (LMSD)

Common Name
Methyl 3,7-dimethyl-6-octenoate
Systematic Name
Methyl 3,7-dimethyl-6-octenoate
Synonyms
  • WE(1:0/8:1(6)(3Me,7Me))
LM ID
LMFA07010529
Formula
C11H22O2
Exact Mass
Calculate m/z
186.16198
Sum Composition
SFE 11:0
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)
SEWKDXWPZABVQY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H22O2/c1-9(2)6-5-7-10(3)8-11(12)13-4/h9-10H,5-8H2,1-4H3
SMILES (Click to copy)
O=C(CC(C)CCCC(C)C)OC

Other Databases

PubChem CID
14718574

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 213.80
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.01
Molar Refractivity 54.49

Admin

Created at
-
Updated at
6th Jun 2022