Molecule

ID:65930

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄O₃
Molecular Mass
158.19496
Exact Mass
158.09429431
Charge
0
InChI
InChI=1S/C8H14O3/c1-2-11-8(9)7-3-5-10-6-4-7/h7H,2-6H2,1H3
InChIKey
BCXINTIRMSZYKA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCOCC1
Isomeric Smiles
C1(C(=O)OCC)CCOCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.7003621
LogD (pH = 7.4)
0.7003621
Log P
0.7003621
Molar Refractivity
40.9121
Polarizability
16.226404
Polar Surface Area
35.53
Rotatable Bonds
3
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
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References
Bioactivity
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