bis(8-chlorooctoxy)-diphenylsilane

C28H42Cl2O2Si — CID 91694774

IUPACbis(8-chlorooctoxy)-diphenylsilane
SMILESClCCCCCCCCO[Si](OCCCCCCCCCl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H42Cl2O2Si/c29-23-15-5-1-3-7-17-25-31-33(27-19-11-9-12-20-27,28-21-13-10-14-22-28)32-26-18-8-4-2-6-16-24-30/h9-14,19-22H,1-8,15-18,23-26H2
InChIKeyOMASHNLJDBQEQQ-UHFFFAOYSA-N
MW509.63 g/mol
LogP7.43
Rot. Bonds20

About bis(8-chlorooctoxy)-diphenylsilane

bis(8-chlorooctoxy)-diphenylsilane (PubChem CID 91694774) has the molecular formula C28H42Cl2O2Si and a molecular weight of 509.63 g/mol. Its IUPAC name is bis(8-chlorooctoxy)-diphenylsilane.

Molecular Properties

Compound Namebis(8-chlorooctoxy)-diphenylsilane
PubChem CID91694774
Molecular FormulaC28H42Cl2O2Si
Molecular Weight509.63 g/mol
Exact Mass508.23
IUPAC Namebis(8-chlorooctoxy)-diphenylsilane
SMILESClCCCCCCCCO[Si](OCCCCCCCCCl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H42Cl2O2Si/c29-23-15-5-1-3-7-17-25-31-33(27-19-11-9-12-20-27,28-21-13-10-14-22-28)32-26-18-8-4-2-6-16-24-30/h9-14,19-22H,1-8,15-18,23-26H2
InChIKeyOMASHNLJDBQEQQ-UHFFFAOYSA-N
XLogP7.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.63
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 bis(8-chlorooctoxy)-diphenylsilane?
The IUPAC name of bis(8-chlorooctoxy)-diphenylsilane (CID 91694774) is bis(8-chlorooctoxy)-diphenylsilane.
What is the SMILES notation for bis(8-chlorooctoxy)-diphenylsilane?
The canonical SMILES for bis(8-chlorooctoxy)-diphenylsilane is ClCCCCCCCCO[Si](OCCCCCCCCCl)(c1ccccc1)c1ccccc1.
What is the InChIKey of bis(8-chlorooctoxy)-diphenylsilane?
The InChIKey is OMASHNLJDBQEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42Cl2O2Si/c29-23-15-5-1-3-7-17-25-31-33(27-19-11-9-12-20-27,28-21-13-10-14-22-28)32-26-18-8-4-2-6-16-24-30/h9-14,19-22H,1-8,15-18,23-26H2.
What are the key properties of bis(8-chlorooctoxy)-diphenylsilane?
bis(8-chlorooctoxy)-diphenylsilane has a molecular weight of 509.63 g/mol, XLogP of 7.43, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(8-chlorooctoxy)-diphenylsilane is sourced from PubChem (CID 91694774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).