Molecule

ID:106953

General Information
Structure
Molecular Formula
C₁₁H₂₀O₄
Molecular Mass
216.2741
Exact Mass
216.13615912
Charge
0
InChI
InChI=1S/C11H20O4/c1-5-11(6-2,9(12)14-7-3)10(13)15-8-4/h5-8H2,1-4H3
InChIKey
ZKBBUZRGPULIRN-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)OCC)(C(=O)OCC)CC
Isomeric Smiles
CCOC(=O)C(CC)(CC)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6624246
LogD (pH = 7.4)
2.6624246
Log P
2.6624246
Molar Refractivity
56.3007
Polarizability
22.553574
Polar Surface Area
52.6
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation