Molecule

ID:82045

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀O₄
Molecular Mass
228.2848
Exact Mass
228.13615912
Charge
0
InChI
InChI=1S/C12H20O4/c1-11(2)8(9(13)15-4)6-7-12(11,3)10(14)16-5/h8H,6-7H2,1-5H3
InChIKey
JTQKJWYDOXYYBH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1CCC(C1(C)C)(C)C(=O)OC
Isomeric Smiles
O=C(C1(C(C(C(=O)OC)CC1)(C)C)C)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.103201
LogD (pH = 7.4)
2.103201
Log P
2.103201
Molar Refractivity
58.5477
Polarizability
23.66967
Polar Surface Area
52.6
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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