Molecule

ID:90299

General Information
Structure
Molecular Formula
C₈H₁₄O₃
Molecular Mass
158.19496
Exact Mass
158.09429431
Charge
0
InChI
InChI=1S/C8H14O3/c1-3-11-8(10)6-4-5-7(2)9/h3-6H2,1-2H3
InChIKey
MGPSIDGTLFKDEY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCCC(=O)C
Isomeric Smiles
O=C(CCCC(=O)OCC)C
Calculated Properties
JChem
Acid pKa
19.429338
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.87841326
LogD (pH = 7.4)
0.87841326
Log P
0.87841326
Molar Refractivity
41.2068
Polarizability
16.33082
Polar Surface Area
43.37
Rotatable Bonds
6
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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