bis(1-bicyclo[2.2.1]heptanyl)-diphenoxysilane

C26H32O2Si — CID 22673218

IUPACbis(1-bicyclo[2.2.1]heptanyl)-diphenoxysilane
SMILESc1ccc(O[Si](Oc2ccccc2)(C23CCC(CC2)C3)C23CCC(CC2)C3)cc1
InChIInChI=1S/C26H32O2Si/c1-3-7-23(8-4-1)27-29(28-24-9-5-2-6-10-24,25-15-11-21(19-25)12-16-25)26-17-13-22(20-26)14-18-26/h1-10,21-22H,11-20H2
InChIKeyKNFLIHRJXCXREJ-UHFFFAOYSA-N
MW404.63 g/mol
LogP7.26
Rot. Bonds6

About bis(1-bicyclo[2.2.1]heptanyl)-diphenoxysilane

bis(1-bicyclo[2.2.1]heptanyl)-diphenoxysilane (PubChem CID 22673218) has the molecular formula C26H32O2Si and a molecular weight of 404.63 g/mol. Its IUPAC name is bis(1-bicyclo[2.2.1]heptanyl)-diphenoxysilane.

Molecular Properties

Compound Namebis(1-bicyclo[2.2.1]heptanyl)-diphenoxysilane
PubChem CID22673218
Molecular FormulaC26H32O2Si
Molecular Weight404.63 g/mol
Exact Mass404.22
IUPAC Namebis(1-bicyclo[2.2.1]heptanyl)-diphenoxysilane
SMILESc1ccc(O[Si](Oc2ccccc2)(C23CCC(CC2)C3)C23CCC(CC2)C3)cc1
InChIInChI=1S/C26H32O2Si/c1-3-7-23(8-4-1)27-29(28-24-9-5-2-6-10-24,25-15-11-21(19-25)12-16-25)26-17-13-22(20-26)14-18-26/h1-10,21-22H,11-20H2
InChIKeyKNFLIHRJXCXREJ-UHFFFAOYSA-N
XLogP7.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.63
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 bis(1-bicyclo[2.2.1]heptanyl)-diphenoxysilane?
The IUPAC name of bis(1-bicyclo[2.2.1]heptanyl)-diphenoxysilane (CID 22673218) is bis(1-bicyclo[2.2.1]heptanyl)-diphenoxysilane.
What is the SMILES notation for bis(1-bicyclo[2.2.1]heptanyl)-diphenoxysilane?
The canonical SMILES for bis(1-bicyclo[2.2.1]heptanyl)-diphenoxysilane is c1ccc(O[Si](Oc2ccccc2)(C23CCC(CC2)C3)C23CCC(CC2)C3)cc1.
What is the InChIKey of bis(1-bicyclo[2.2.1]heptanyl)-diphenoxysilane?
The InChIKey is KNFLIHRJXCXREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32O2Si/c1-3-7-23(8-4-1)27-29(28-24-9-5-2-6-10-24,25-15-11-21(19-25)12-16-25)26-17-13-22(20-26)14-18-26/h1-10,21-22H,11-20H2.
What are the key properties of bis(1-bicyclo[2.2.1]heptanyl)-diphenoxysilane?
bis(1-bicyclo[2.2.1]heptanyl)-diphenoxysilane has a molecular weight of 404.63 g/mol, XLogP of 7.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-bicyclo[2.2.1]heptanyl)-diphenoxysilane is sourced from PubChem (CID 22673218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).