Molecule

ID:104681

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₄O₄
Molecular Mass
220.30586
Exact Mass
220.16745925
Charge
0
InChI
InChI=1S/C11H24O4/c1-5-12-10(13-6-2)9-11(14-7-3)15-8-4/h10-11H,5-9H2,1-4H3
InChIKey
KVJHGPAAOUGYJX-UHFFFAOYSA-N
Canonic Smiles
CCOC(CC(OCC)OCC)OCC
Isomeric Smiles
CCOC(CC(OCC)OCC)OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.7589407
LogD (pH = 7.4)
1.7589407
Log P
1.7589407
Molar Refractivity
59.0644
Polarizability
23.777866
Polar Surface Area
36.92
Rotatable Bonds
10
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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
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Bioactivity
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