CID 91172342

C10H10Br5OSi — CID 91172342

IUPAC—
SMILESBrC(COCc1ccccc1)C(Br)(Br)[Si](Br)Br
InChIInChI=1S/C10H10Br5OSi/c11-9(10(12,13)17(14)15)7-16-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyNGIXZXCFWCJOPT-UHFFFAOYSA-N
MW573.80 g/mol
LogP5.27
Rot. Bonds6

About CID 91172342

CID 91172342 (PubChem CID 91172342) has the molecular formula C10H10Br5OSi and a molecular weight of 573.80 g/mol.

Molecular Properties

Compound NameCID 91172342
PubChem CID91172342
Molecular FormulaC10H10Br5OSi
Molecular Weight573.80 g/mol
Exact Mass568.64
IUPAC Name—
SMILESBrC(COCc1ccccc1)C(Br)(Br)[Si](Br)Br
InChIInChI=1S/C10H10Br5OSi/c11-9(10(12,13)17(14)15)7-16-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyNGIXZXCFWCJOPT-UHFFFAOYSA-N
XLogP5.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.80
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 91172342?
The IUPAC name of CID 91172342 (CID 91172342) is not available.
What is the SMILES notation for CID 91172342?
The canonical SMILES for CID 91172342 is BrC(COCc1ccccc1)C(Br)(Br)[Si](Br)Br.
What is the InChIKey of CID 91172342?
The InChIKey is NGIXZXCFWCJOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br5OSi/c11-9(10(12,13)17(14)15)7-16-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2.
What are the key properties of CID 91172342?
CID 91172342 has a molecular weight of 573.80 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91172342 is sourced from PubChem (CID 91172342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).