8-bromooctyl-methyl-dioctylsilane

C25H53BrSi — CID 132528519

IUPAC8-bromooctyl-methyl-dioctylsilane
SMILESCCCCCCCC[Si](C)(CCCCCCCC)CCCCCCCCBr
InChIInChI=1S/C25H53BrSi/c1-4-6-8-10-15-19-23-27(3,24-20-16-11-9-7-5-2)25-21-17-13-12-14-18-22-26/h4-25H2,1-3H3
InChIKeyNIIVJGHURVYZML-UHFFFAOYSA-N
MW461.69 g/mol
LogP10.52
Rot. Bonds22

About 8-bromooctyl-methyl-dioctylsilane

8-bromooctyl-methyl-dioctylsilane (PubChem CID 132528519) has the molecular formula C25H53BrSi and a molecular weight of 461.69 g/mol. Its IUPAC name is 8-bromooctyl-methyl-dioctylsilane.

Molecular Properties

Compound Name8-bromooctyl-methyl-dioctylsilane
PubChem CID132528519
Molecular FormulaC25H53BrSi
Molecular Weight461.69 g/mol
Exact Mass460.31
IUPAC Name8-bromooctyl-methyl-dioctylsilane
SMILESCCCCCCCC[Si](C)(CCCCCCCC)CCCCCCCCBr
InChIInChI=1S/C25H53BrSi/c1-4-6-8-10-15-19-23-27(3,24-20-16-11-9-7-5-2)25-21-17-13-12-14-18-22-26/h4-25H2,1-3H3
InChIKeyNIIVJGHURVYZML-UHFFFAOYSA-N
XLogP10.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.69
LogP ≤ 510.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-bromooctyl-methyl-dioctylsilane?
The IUPAC name of 8-bromooctyl-methyl-dioctylsilane (CID 132528519) is 8-bromooctyl-methyl-dioctylsilane.
What is the SMILES notation for 8-bromooctyl-methyl-dioctylsilane?
The canonical SMILES for 8-bromooctyl-methyl-dioctylsilane is CCCCCCCC[Si](C)(CCCCCCCC)CCCCCCCCBr.
What is the InChIKey of 8-bromooctyl-methyl-dioctylsilane?
The InChIKey is NIIVJGHURVYZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H53BrSi/c1-4-6-8-10-15-19-23-27(3,24-20-16-11-9-7-5-2)25-21-17-13-12-14-18-22-26/h4-25H2,1-3H3.
What are the key properties of 8-bromooctyl-methyl-dioctylsilane?
8-bromooctyl-methyl-dioctylsilane has a molecular weight of 461.69 g/mol, XLogP of 10.52, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromooctyl-methyl-dioctylsilane is sourced from PubChem (CID 132528519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).