cyclohexyl-(2-cyclohexylethoxy)-diphenylsilane

C26H36OSi — CID 66989917

IUPACcyclohexyl-(2-cyclohexylethoxy)-diphenylsilane
SMILESc1ccc([Si](OCCC2CCCCC2)(c2ccccc2)C2CCCCC2)cc1
InChIInChI=1S/C26H36OSi/c1-5-13-23(14-6-1)21-22-27-28(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h2-3,7-10,15-18,23,26H,1,4-6,11-14,19-22H2
InChIKeyHARSTBZGMQIBMT-UHFFFAOYSA-N
MW392.66 g/mol
LogP6.07
Rot. Bonds7

About cyclohexyl-(2-cyclohexylethoxy)-diphenylsilane

cyclohexyl-(2-cyclohexylethoxy)-diphenylsilane (PubChem CID 66989917) has the molecular formula C26H36OSi and a molecular weight of 392.66 g/mol. Its IUPAC name is cyclohexyl-(2-cyclohexylethoxy)-diphenylsilane.

Molecular Properties

Compound Namecyclohexyl-(2-cyclohexylethoxy)-diphenylsilane
PubChem CID66989917
Molecular FormulaC26H36OSi
Molecular Weight392.66 g/mol
Exact Mass392.25
IUPAC Namecyclohexyl-(2-cyclohexylethoxy)-diphenylsilane
SMILESc1ccc([Si](OCCC2CCCCC2)(c2ccccc2)C2CCCCC2)cc1
InChIInChI=1S/C26H36OSi/c1-5-13-23(14-6-1)21-22-27-28(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h2-3,7-10,15-18,23,26H,1,4-6,11-14,19-22H2
InChIKeyHARSTBZGMQIBMT-UHFFFAOYSA-N
XLogP6.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.66
LogP ≤ 56.07
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 cyclohexyl-(2-cyclohexylethoxy)-diphenylsilane?
The IUPAC name of cyclohexyl-(2-cyclohexylethoxy)-diphenylsilane (CID 66989917) is cyclohexyl-(2-cyclohexylethoxy)-diphenylsilane.
What is the SMILES notation for cyclohexyl-(2-cyclohexylethoxy)-diphenylsilane?
The canonical SMILES for cyclohexyl-(2-cyclohexylethoxy)-diphenylsilane is c1ccc([Si](OCCC2CCCCC2)(c2ccccc2)C2CCCCC2)cc1.
What is the InChIKey of cyclohexyl-(2-cyclohexylethoxy)-diphenylsilane?
The InChIKey is HARSTBZGMQIBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36OSi/c1-5-13-23(14-6-1)21-22-27-28(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h2-3,7-10,15-18,23,26H,1,4-6,11-14,19-22H2.
What are the key properties of cyclohexyl-(2-cyclohexylethoxy)-diphenylsilane?
cyclohexyl-(2-cyclohexylethoxy)-diphenylsilane has a molecular weight of 392.66 g/mol, XLogP of 6.07, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(2-cyclohexylethoxy)-diphenylsilane is sourced from PubChem (CID 66989917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).