Molecule

ID:107340

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂O₂
Molecular Mass
198.30188
Exact Mass
198.16197994
Charge
0
InChI
InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-9H,3-7,10-11H2,1-2H3
InChIKey
AWNIQMQADACLCJ-UHFFFAOYSA-N
Canonic Smiles
CCCCC/C=C/CCC(=O)OCC
Isomeric Smiles
CCCCC/C=C/CCC(=O)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7299511
LogD (pH = 7.4)
3.7299511
Log P
3.7299511
Molar Refractivity
60.1119
Polarizability
23.35703
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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