CID 69332410

C26H36NO4Si — CID 69332410

IUPAC—
SMILESCC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(CO[Si](c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H36NO4Si/c1-24(2,3)26(17-20(28)18-27(26)23(29)31-25(4,5)6)19-30-32(21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,28H,17-19H2,1-6H3/t20-,26-/m1/s1
InChIKeyBHAKTDRXIAXFDO-FQRUVTKNSA-N
MW454.66 g/mol
LogP3.60
Rot. Bonds5

About CID 69332410

CID 69332410 (PubChem CID 69332410) has the molecular formula C26H36NO4Si and a molecular weight of 454.66 g/mol.

Molecular Properties

Compound NameCID 69332410
PubChem CID69332410
Molecular FormulaC26H36NO4Si
Molecular Weight454.66 g/mol
Exact Mass454.24
IUPAC Name—
SMILESCC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(CO[Si](c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H36NO4Si/c1-24(2,3)26(17-20(28)18-27(26)23(29)31-25(4,5)6)19-30-32(21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,28H,17-19H2,1-6H3/t20-,26-/m1/s1
InChIKeyBHAKTDRXIAXFDO-FQRUVTKNSA-N
XLogP3.60
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.66
LogP ≤ 53.60
H-Bond Donors ≤ 51
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 69332410?
The IUPAC name of CID 69332410 (CID 69332410) is not available.
What is the SMILES notation for CID 69332410?
The canonical SMILES for CID 69332410 is CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(CO[Si](c1ccccc1)c1ccccc1)C(C)(C)C.
What is the InChIKey of CID 69332410?
The InChIKey is BHAKTDRXIAXFDO-FQRUVTKNSA-N. The full InChI is InChI=1S/C26H36NO4Si/c1-24(2,3)26(17-20(28)18-27(26)23(29)31-25(4,5)6)19-30-32(21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,28H,17-19H2,1-6H3/t20-,26-/m1/s1.
What are the key properties of CID 69332410?
CID 69332410 has a molecular weight of 454.66 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69332410 is sourced from PubChem (CID 69332410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).