Molecule
ID:83506
General Information
Molecular Formula
C₈H₁₆O₂
Molecular Mass
144.21144
Exact Mass
144.11502975
Charge
0
InChI
InChI=1S/C8H16O2/c1-5-10-8(9)7(4)6(2)3/h6-7H,5H2,1-4H3
InChIKey
UOLDHHQOKRYISV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(C)C)C
Isomeric Smiles
O(CC)C(=O)C(C(C)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2544663
LogD (pH = 7.4)
2.2544663
Log P
2.2544663
Molar Refractivity
40.5124
Polarizability
16.228813
Polar Surface Area
26.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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