Molecule

ID:127481

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄O₄
Molecular Mass
174.19436
Exact Mass
174.08920893
Charge
0
InChI
InChI=1S/C8H14O4/c1-3-10-7(9)6-8(2)11-4-5-12-8/h3-6H2,1-2H3
InChIKey
XWEOGMYZFCHQNT-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC1(C)OCCO1
Isomeric Smiles
CC1(OCCO1)CC(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.69768786
LogD (pH = 7.4)
0.69768786
Log P
0.69768786
Molar Refractivity
42.1481
Polarizability
16.966852
Polar Surface Area
44.76
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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