Molecule

ID:135404

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₈O₅Si
Molecular Mass
328.47602
Exact Mass
328.17060053
Charge
0
InChI
InChI=1S/C16H28O5Si/c1-10(2)22(11(3)4,12(5)6)19-9-14-15-13(7-8-18-14)20-16(17)21-15/h7-8,10-15H,9H2,1-6H3/t13-,14-,15-/m1/s1
InChIKey
CMJIHDNAPZTYCJ-RBSFLKMASA-N
Canonic Smiles
CC([Si](C(C)C)(C(C)C)OC[C@H]1OC=C[C@@H]2[C@H]1OC(=O)O2)C
Isomeric Smiles
CC(C)[Si](C(C)C)(C(C)C)OC[C@@H]1[C@H]2[C@@H](C=CO1)OC(=O)O2
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.0125
LogD (pH = 7.4)
4.0125
Log P
4.0125
Molar Refractivity
79.7542
Polarizability
34.315228
Polar Surface Area
53.99
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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