Molecule

ID:60288

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆O₂
Molecular Mass
156.22214
Exact Mass
156.11502975
Charge
0
InChI
InChI=1S/C9H16O2/c1-3-11-8(10)9(2)6-4-5-7-9/h3-7H2,1-2H3
InChIKey
HRENVGTVIBNRKD-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1(C)CCCC1
Isomeric Smiles
C1CCC(C1)(C)C(=O)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5043042
LogD (pH = 7.4)
2.5043042
Log P
2.5043042
Molar Refractivity
43.2636
Polarizability
17.343075
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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