Molecule

ID:108609

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₆O₄
Molecular Mass
340.49744
Exact Mass
340.26135963
Charge
0
InChI
InChI=1S/C20H36O4/c1-17(2)11-7-5-9-15-23-19(21)13-14-20(22)24-16-10-6-8-12-18(3)4/h13-14,17-18H,5-12,15-16H2,1-4H3
InChIKey
QIGLLCHDIZAZFE-UHFFFAOYSA-N
Canonic Smiles
CC(CCCCCOC(=O)/C=C/C(=O)OCCCCCC(C)C)C
Isomeric Smiles
CC(C)CCCCCOC(=O)/C=C/C(=O)OCCCCCC(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.6067886
LogD (pH = 7.4)
6.6067886
Log P
6.6067886
Molar Refractivity
98.5956
Polarizability
38.85157
Polar Surface Area
52.6
Rotatable Bonds
16
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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