Molecule

ID:135427

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀O₄
Molecular Mass
240.2955
Exact Mass
240.13615912
Charge
0
InChI
InChI=1S/C13H20O4/c1-9(2)11(14)16-7-13(5,6)8-17-12(15)10(3)4/h1,3,7-8H2,2,4-6H3
InChIKey
ULQMPOIOSDXIGC-UHFFFAOYSA-N
Canonic Smiles
O=C(C(=C)C)OCC(COC(=O)C(=C)C)(C)C
Isomeric Smiles
CC(=C)C(=O)OCC(C)(C)COC(=O)C(=C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4755602
LogD (pH = 7.4)
3.4755602
Log P
3.4755602
Molar Refractivity
64.4909
Polarizability
25.730791
Polar Surface Area
52.6
Rotatable Bonds
8
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
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References
Bioactivity
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