CID 11192526

C27H32NO2SSi — CID 11192526

IUPAC—
SMILESCC(C)(C)[Si](C)(C)O[C@@H](c1ccccc1)[C@@H]1COC([C]2[CH][CH][CH][C]2Sc2ccccc2)=N1
InChIInChI=1S/C27H32NO2SSi/c1-27(2,3)32(4,5)30-25(20-13-8-6-9-14-20)23-19-29-26(28-23)22-17-12-18-24(22)31-21-15-10-7-11-16-21/h6-18,23,25H,19H2,1-5H3/t23-,25-/m0/s1
InChIKeyHVQVNJKBLYUNIJ-ZCYQVOJMSA-N
MW462.71 g/mol
LogP7.07
Rot. Bonds7

About CID 11192526

CID 11192526 (PubChem CID 11192526) has the molecular formula C27H32NO2SSi and a molecular weight of 462.71 g/mol.

Molecular Properties

Compound NameCID 11192526
PubChem CID11192526
Molecular FormulaC27H32NO2SSi
Molecular Weight462.71 g/mol
Exact Mass462.19
IUPAC Name—
SMILESCC(C)(C)[Si](C)(C)O[C@@H](c1ccccc1)[C@@H]1COC([C]2[CH][CH][CH][C]2Sc2ccccc2)=N1
InChIInChI=1S/C27H32NO2SSi/c1-27(2,3)32(4,5)30-25(20-13-8-6-9-14-20)23-19-29-26(28-23)22-17-12-18-24(22)31-21-15-10-7-11-16-21/h6-18,23,25H,19H2,1-5H3/t23-,25-/m0/s1
InChIKeyHVQVNJKBLYUNIJ-ZCYQVOJMSA-N
XLogP7.07
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.71
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 11192526?
The IUPAC name of CID 11192526 (CID 11192526) is not available.
What is the SMILES notation for CID 11192526?
The canonical SMILES for CID 11192526 is CC(C)(C)[Si](C)(C)O[C@@H](c1ccccc1)[C@@H]1COC([C]2[CH][CH][CH][C]2Sc2ccccc2)=N1.
What is the InChIKey of CID 11192526?
The InChIKey is HVQVNJKBLYUNIJ-ZCYQVOJMSA-N. The full InChI is InChI=1S/C27H32NO2SSi/c1-27(2,3)32(4,5)30-25(20-13-8-6-9-14-20)23-19-29-26(28-23)22-17-12-18-24(22)31-21-15-10-7-11-16-21/h6-18,23,25H,19H2,1-5H3/t23-,25-/m0/s1.
What are the key properties of CID 11192526?
CID 11192526 has a molecular weight of 462.71 g/mol, XLogP of 7.07, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11192526 is sourced from PubChem (CID 11192526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).