Molecule

ID:85653

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀O₄
Molecular Mass
240.2955
Exact Mass
240.13615912
Charge
0
InChI
InChI=1S/C13H20O4/c1-5-9-13(10-6-2,11(14)16-7-3)12(15)17-8-4/h5-6H,1-2,7-10H2,3-4H3
InChIKey
LYUUVYQGUMRKOV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(=O)OCC)(CC=C)CC=C
Isomeric Smiles
O=C(C(C(=O)OCC)(CC=C)CC=C)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.943586
LogD (pH = 7.4)
2.943586
Log P
2.943586
Molar Refractivity
65.5909
Polarizability
25.730791
Polar Surface Area
52.6
Rotatable Bonds
10
Lipinski's Rule of Five
true
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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