CID 67807308

C29H28BrOSi — CID 67807308

IUPAC—
SMILESCC(C)(C)c1ccc(-c2ccccc2CO[Si](c2ccccc2)c2ccccc2)cc1Br
InChIInChI=1S/C29H28BrOSi/c1-29(2,3)27-19-18-22(20-28(27)30)26-17-11-10-12-23(26)21-31-32(24-13-6-4-7-14-24)25-15-8-5-9-16-25/h4-20H,21H2,1-3H3
InChIKeyMXLSGFJKZVYOLA-UHFFFAOYSA-N
MW500.53 g/mol
LogP6.74
Rot. Bonds6

About CID 67807308

CID 67807308 (PubChem CID 67807308) has the molecular formula C29H28BrOSi and a molecular weight of 500.53 g/mol.

Molecular Properties

Compound NameCID 67807308
PubChem CID67807308
Molecular FormulaC29H28BrOSi
Molecular Weight500.53 g/mol
Exact Mass499.11
IUPAC Name—
SMILESCC(C)(C)c1ccc(-c2ccccc2CO[Si](c2ccccc2)c2ccccc2)cc1Br
InChIInChI=1S/C29H28BrOSi/c1-29(2,3)27-19-18-22(20-28(27)30)26-17-11-10-12-23(26)21-31-32(24-13-6-4-7-14-24)25-15-8-5-9-16-25/h4-20H,21H2,1-3H3
InChIKeyMXLSGFJKZVYOLA-UHFFFAOYSA-N
XLogP6.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.53
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 67807308?
The IUPAC name of CID 67807308 (CID 67807308) is not available.
What is the SMILES notation for CID 67807308?
The canonical SMILES for CID 67807308 is CC(C)(C)c1ccc(-c2ccccc2CO[Si](c2ccccc2)c2ccccc2)cc1Br.
What is the InChIKey of CID 67807308?
The InChIKey is MXLSGFJKZVYOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28BrOSi/c1-29(2,3)27-19-18-22(20-28(27)30)26-17-11-10-12-23(26)21-31-32(24-13-6-4-7-14-24)25-15-8-5-9-16-25/h4-20H,21H2,1-3H3.
What are the key properties of CID 67807308?
CID 67807308 has a molecular weight of 500.53 g/mol, XLogP of 6.74, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67807308 is sourced from PubChem (CID 67807308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).