Molecule
ID:110592
General Information
Molecular Formula
C₁₁H₂₂O₂
Molecular Mass
186.29118
Exact Mass
186.16197994
Charge
0
InChI
InChI=1S/C11H22O2/c1-4-7-8-9-10-11(12-5-2)13-6-3/h7-8,11H,4-6,9-10H2,1-3H3
InChIKey
BOALWZNGHWYCRG-UHFFFAOYSA-N
Canonic Smiles
CC/C=C/CCC(OCC)OCC
Isomeric Smiles
CCOC(CC/C=C/CC)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1840498
LogD (pH = 7.4)
3.1840498
Log P
3.1840498
Molar Refractivity
57.1944
Polarizability
22.13539
Polar Surface Area
18.46
Rotatable Bonds
8
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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