Molecule
ID:71653
General Information
Molecular Formula
C₉H₂₀O₂
Molecular Mass
160.2539
Exact Mass
160.14632988
Charge
0
InChI
InChI=1S/C9H20O2/c1-5-10-9(11-6-2)7-8(3)4/h8-9H,5-7H2,1-4H3
InChIKey
DDGBOLJFAMEBOE-UHFFFAOYSA-N
Canonic Smiles
CCOC(CC(C)C)OCC
Isomeric Smiles
CC(CC(OCC)OCC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4992845
LogD (pH = 7.4)
2.4992845
Log P
2.4992845
Molar Refractivity
46.8234
Polarizability
18.688713
Polar Surface Area
18.46
Rotatable Bonds
6
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
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Molecule Details
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References
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Bioactivity
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