Molecule

ID:129456

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₆O₂Si
Molecular Mass
360.60554
Exact Mass
360.24845692
Charge
0
InChI
InChI=1S/C22H36O2Si/c1-21-12-10-16(23)14-15(21)6-7-17-18-8-9-20(24-25(3,4)5)22(18,2)13-11-19(17)21/h14,17-20H,6-13H2,1-5H3/t17-,18-,19-,20-,21-,22-/m0/s1
InChIKey
HNZDTAXZHUDITM-WLNPFYQQSA-N
Canonic Smiles
O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O[Si](C)(C)C)C)C
Isomeric Smiles
O=C1C=C2[C@]([C@H]3CC[C@@]4([C@@H](O[Si](C)(C)C)CC[C@H]4[C@@H]3CC2)C)(C)CC1
Calculated Properties
JChem
Acid pKa
19.086866
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.6709
LogD (pH = 7.4)
5.6709
Log P
5.6709
Molar Refractivity
100.5557
Polarizability
41.792355
Polar Surface Area
26.3
Rotatable Bonds
2
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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