Structure Database (LMSD)

O O
Common Name
3,7-Dimethyl-6-octenyl decanoate
Systematic Name
3,7-Dimethyl-6-octenyl decanoate
Synonyms
  • WE(8:1(6)(3Me,7Me)/10:0)
LM ID
LMFA07010607
Formula
C20H40O2
Exact Mass
Calculate m/z
312.30283
Sum Composition
WE 20:0
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)
AYTFDXGLOXHJIA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H40O2/c1-5-6-7-8-9-10-11-15-20(21)22-17-16-19(4)14-12-13-18(2)3/h18-19H,5-17H2,1-4H3
SMILES (Click to copy)
O=C(CCCCCCCCC)OCCC(C)CCCC(C)C

References

Comments
Pherobase Semiochemicals

Other Databases

CHEBI ID
179712
PubChem CID
56936010

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

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Created at
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Updated at
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