Molecule

ID:108709

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀O₂
Molecular Mass
184.2753
Exact Mass
184.14632988
Charge
0
InChI
InChI=1S/C11H20O2/c1-3-5-6-7-8-9-11(12)13-10-4-2/h4H,2-3,5-10H2,1H3
InChIKey
PZGMUSDNQDCNAG-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCC(=O)OCC=C
Isomeric Smiles
CCCCCCCC(=O)OCC=C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5771773
LogD (pH = 7.4)
3.5771773
Log P
3.5771773
Molar Refractivity
54.2074
Polarizability
21.513336
Polar Surface Area
26.3
Rotatable Bonds
9
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
References
Bioactivity
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