Molecule

ID:136973

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈O₃
Molecular Mass
186.24812
Exact Mass
186.12559444
Charge
0
InChI
InChI=1S/C10H18O3/c1-4-6-13-10(11)8-12-7-5-9(2)3/h4,9H,1,5-8H2,2-3H3
InChIKey
XCWPXUNHSPOFGV-UHFFFAOYSA-N
Canonic Smiles
C=CCOC(=O)COCCC(C)C
Isomeric Smiles
CC(C)CCOCC(=O)OCC=C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0905948
LogD (pH = 7.4)
2.0905948
Log P
2.0905948
Molar Refractivity
51.4511
Polarizability
20.368004
Polar Surface Area
35.53
Rotatable Bonds
8
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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