Molecule

ID:136725

General Information
Structure
MolImage
Molecular Formula
C₄₀H₇₄O₁₃Si₉
Molecular Mass
1015.77726
Exact Mass
1014.30528122
Charge
0
InChI
InChI=1S/C40H74O13Si9/c1-4-33-54(2,3)41-62-51-59(38-27-13-14-28-38)45-56(35-21-7-8-22-35)42-55(34-19-5-6-20-34)43-57(47-59,36-23-9-10-24-36)49-61(53-62,40-31-17-18-32-40)50-58(44-55,37-25-11-12-26-37)48-60(46-56,52-62)39-29-15-16-30-39/h4,34-40H,1,5-33H2,2-3H3
InChIKey
VAFAOLQATIQPHK-UHFFFAOYSA-N
Canonic Smiles
C=CC[Si](O[Si]12O[Si]3(O[Si]4(O[Si](O2)(O[Si]2(O[Si](O1)(O[Si](O3)(O[Si](O4)(O2)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)(C)C
Isomeric Smiles
C[Si](C)(CC=C)O[Si]12O[Si]3(O[Si]4(O[Si]5(O[Si](O3)(O[Si](O1)(O[Si](O5)(O[Si](O4)(O2)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1
Calculated Properties
JChem
H Acceptors
13
H Donor
0
LogD (pH = 5.5)
13.4462
LogD (pH = 7.4)
13.4462
Log P
13.4462
Molar Refractivity
197.9305
Polarizability
101.10709
Polar Surface Area
119.99
Rotatable Bonds
11
Lipinski's Rule of Five
false
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