Molecule

ID:108484

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈O₂
Molecular Mass
158.23802
Exact Mass
158.13067982
Charge
0
InChI
InChI=1S/C9H18O2/c1-4-6-7-11-9(10)8(3)5-2/h8H,4-7H2,1-3H3
InChIKey
OTKQNSSMCDLVQV-UHFFFAOYSA-N
Canonic Smiles
CCCCOC(=O)C(CC)C
Isomeric Smiles
CCCCOC(=O)C(C)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9345381
LogD (pH = 7.4)
2.9345381
Log P
2.9345381
Molar Refractivity
45.0888
Polarizability
18.069265
Polar Surface Area
26.3
Rotatable Bonds
6
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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