Molecule

ID:90765

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₈O₂
Molecular Mass
216.36022
Exact Mass
216.20893014
Charge
0
InChI
InChI=1S/C13H28O2/c1-11(2)7-13(9-14-5,10-15-6)8-12(3)4/h11-12H,7-10H2,1-6H3
InChIKey
PVWCLOAAEFMTLH-UHFFFAOYSA-N
Canonic Smiles
COCC(CC(C)C)(CC(C)C)COC
Isomeric Smiles
O(CC(COC)(CC(C)C)CC(C)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4615216
LogD (pH = 7.4)
3.4615216
Log P
3.4615216
Molar Refractivity
65.1819
Polarizability
26.06235
Polar Surface Area
18.46
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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