Molecule

ID:112723

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈O₃
Molecular Mass
186.24812
Exact Mass
186.12559444
Charge
0
InChI
InChI=1S/C10H18O3/c1-9(2,3)7(11)13-8(12)10(4,5)6/h1-6H3
InChIKey
PGZVFRAEAAXREB-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C)(C)C)OC(=O)C(C)(C)C
Isomeric Smiles
CC(C)(C)C(=O)OC(=O)C(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2865534
LogD (pH = 7.4)
3.2865534
Log P
3.2865534
Molar Refractivity
49.4868
Polarizability
19.997911
Polar Surface Area
43.37
Rotatable Bonds
4
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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