CID 168800121

C3H7BrNSi2 — CID 168800121

IUPAC—
SMILESCC(C)N([Si])[Si]Br
InChIInChI=1S/C3H7BrNSi2/c1-3(2)5(6)7-4/h3H,1-2H3
InChIKeyWDTWCUPHNPJTOE-UHFFFAOYSA-N
MW193.17 g/mol
LogP0.71
Rot. Bonds2

About CID 168800121

CID 168800121 (PubChem CID 168800121) has the molecular formula C3H7BrNSi2 and a molecular weight of 193.17 g/mol.

Molecular Properties

Compound NameCID 168800121
PubChem CID168800121
Molecular FormulaC3H7BrNSi2
Molecular Weight193.17 g/mol
Exact Mass191.93
IUPAC Name—
SMILESCC(C)N([Si])[Si]Br
InChIInChI=1S/C3H7BrNSi2/c1-3(2)5(6)7-4/h3H,1-2H3
InChIKeyWDTWCUPHNPJTOE-UHFFFAOYSA-N
XLogP0.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 168800121?
The IUPAC name of CID 168800121 (CID 168800121) is not available.
What is the SMILES notation for CID 168800121?
The canonical SMILES for CID 168800121 is CC(C)N([Si])[Si]Br.
What is the InChIKey of CID 168800121?
The InChIKey is WDTWCUPHNPJTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7BrNSi2/c1-3(2)5(6)7-4/h3H,1-2H3.
What are the key properties of CID 168800121?
CID 168800121 has a molecular weight of 193.17 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 168800121 is sourced from PubChem (CID 168800121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).