Molecule

ID:110986

General Information
Structure
MolImage
Molecular Formula
C₂₄H₄₂O₆
Molecular Mass
426.58668
Exact Mass
426.29813906
Charge
0
InChI
InChI=1S/C24H42O6/c1-8-13-14-19-22(6,7)20-15-17-21(18-16-20)30-24(28-11-4,29-12-5)23(25,26-9-2)27-10-3/h15-18,25H,8-14,19H2,1-7H3
InChIKey
JYQRKXVPOVNXLO-UHFFFAOYSA-N
Canonic Smiles
CCCCCC(c1ccc(cc1)OC(C(OCC)(OCC)O)(OCC)OCC)(C)C
Isomeric Smiles
CCCCCC(C)(C)c1ccc(OC(OCC)(OCC)C(O)(OCC)OCC)cc1
Calculated Properties
JChem
Acid pKa
8.687961
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
6.9562993
LogD (pH = 7.4)
6.9347825
Log P
6.9565806
Molar Refractivity
120.642
Polarizability
47.461464
Polar Surface Area
66.38
Rotatable Bonds
16
Lipinski's Rule of Five
false
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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