Molecule

ID:134611

General Information
Structure
MolImage
Molecular Formula
C₄₀H₇₄O₁₃Si₈
Molecular Mass
987.69176
Exact Mass
986.32835468
Charge
0
InChI
InChI=1S/C40H74O13Si8/c41-54(33-17-1-2-18-33)43-56(35-21-5-6-22-35)47-58(37-25-9-10-26-37)45-55(42,34-19-3-4-20-34)46-59(38-27-11-12-28-38)48-57(44-54,36-23-7-8-24-36)50-60(49-56,39-29-13-14-30-39)53-61(51-58,52-59)40-31-15-16-32-40/h33-42H,1-32H2
InChIKey
GMDAGRSITADPEU-UHFFFAOYSA-N
Canonic Smiles
O[Si]1(O[Si]2(O[Si]3(O[Si](O[Si]4(O[Si](O1)(O[Si](O2)(O[Si](O3)(O4)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)(O)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1
Isomeric Smiles
C1CCC(C1)[Si]1(O[Si]2(O[Si]3(O[Si](O[Si]4(O[Si](O1)(O[Si](O2)(O[Si](O3)(O4)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)(C1CCCC1)O)C1CCCC1)C1CCCC1)O
Calculated Properties
JChem
Acid pKa
7.9207416
H Acceptors
13
H Donor
2
LogD (pH = 5.5)
11.386763
LogD (pH = 7.4)
11.2671585
Log P
11.3884
Molar Refractivity
195.8702
Polarizability
98.27515
Polar Surface Area
141.99
Rotatable Bonds
8
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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