CID 10558048

C66H78O8Si2 — CID 10558048

IUPAC—
SMILESCC(C)(C)[Si](O[C@H]1[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]2O[C@@]3(CCC[C@@H](c4ccccc4)O3)[C@]3(CCC[C@@H](c4ccccc4)O3)O[C@@H]21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C66H78O8Si2/c1-62(2,3)75(50-34-18-9-19-35-50,51-36-20-10-21-37-51)73-60-56-57(70-64(69-56)44-26-13-27-45-64)61(74-76(63(4,5)6,52-38-22-11-23-39-52)53-40-24-12-25-41-53)59-58(60)71-65(46-28-42-54(67-65)48-30-14-7-15-31-48)66(72-59)47-29-43-55(68-66)49-32-16-8-17-33-49/h7-12,14-25,30-41,54-61H,13,26-29,42-47H2,1-6H3/t54-,55-,56-,57+,58-,59-,60-,61-,65-,66-/m0/s1
InChIKeyZCAIBWVFMDHLIF-UDGFKBDUSA-N
MW1055.51 g/mol
LogP12.40
Rot. Bonds10

About CID 10558048

CID 10558048 (PubChem CID 10558048) has the molecular formula C66H78O8Si2 and a molecular weight of 1055.51 g/mol.

Molecular Properties

Compound NameCID 10558048
PubChem CID10558048
Molecular FormulaC66H78O8Si2
Molecular Weight1055.51 g/mol
Exact Mass1054.52
IUPAC Name—
SMILESCC(C)(C)[Si](O[C@H]1[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]2O[C@@]3(CCC[C@@H](c4ccccc4)O3)[C@]3(CCC[C@@H](c4ccccc4)O3)O[C@@H]21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C66H78O8Si2/c1-62(2,3)75(50-34-18-9-19-35-50,51-36-20-10-21-37-51)73-60-56-57(70-64(69-56)44-26-13-27-45-64)61(74-76(63(4,5)6,52-38-22-11-23-39-52)53-40-24-12-25-41-53)59-58(60)71-65(46-28-42-54(67-65)48-30-14-7-15-31-48)66(72-59)47-29-43-55(68-66)49-32-16-8-17-33-49/h7-12,14-25,30-41,54-61H,13,26-29,42-47H2,1-6H3/t54-,55-,56-,57+,58-,59-,60-,61-,65-,66-/m0/s1
InChIKeyZCAIBWVFMDHLIF-UDGFKBDUSA-N
XLogP12.40
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001055.51
LogP ≤ 512.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 10558048?
The IUPAC name of CID 10558048 (CID 10558048) is not available.
What is the SMILES notation for CID 10558048?
The canonical SMILES for CID 10558048 is CC(C)(C)[Si](O[C@H]1[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]2O[C@@]3(CCC[C@@H](c4ccccc4)O3)[C@]3(CCC[C@@H](c4ccccc4)O3)O[C@@H]21)(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 10558048?
The InChIKey is ZCAIBWVFMDHLIF-UDGFKBDUSA-N. The full InChI is InChI=1S/C66H78O8Si2/c1-62(2,3)75(50-34-18-9-19-35-50,51-36-20-10-21-37-51)73-60-56-57(70-64(69-56)44-26-13-27-45-64)61(74-76(63(4,5)6,52-38-22-11-23-39-52)53-40-24-12-25-41-53)59-58(60)71-65(46-28-42-54(67-65)48-30-14-7-15-31-48)66(72-59)47-29-43-55(68-66)49-32-16-8-17-33-49/h7-12,14-25,30-41,54-61H,13,26-29,42-47H2,1-6H3/t54-,55-,56-,57+,58-,59-,60-,61-,65-,66-/m0/s1.
What are the key properties of CID 10558048?
CID 10558048 has a molecular weight of 1055.51 g/mol, XLogP of 12.40, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10558048 is sourced from PubChem (CID 10558048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).