bis(2-bicyclo[2.2.1]heptanyl)-diphenoxysilane

C26H32O2Si — CID 66915791

IUPACbis(2-bicyclo[2.2.1]heptanyl)-diphenoxysilane
SMILESc1ccc(O[Si](Oc2ccccc2)(C2CC3CCC2C3)C2CC3CCC2C3)cc1
InChIInChI=1S/C26H32O2Si/c1-3-7-23(8-4-1)27-29(28-24-9-5-2-6-10-24,25-17-19-11-13-21(25)15-19)26-18-20-12-14-22(26)16-20/h1-10,19-22,25-26H,11-18H2
InChIKeySFEOYYAMGQPRMZ-UHFFFAOYSA-N
MW404.63 g/mol
LogP6.97
Rot. Bonds6

About bis(2-bicyclo[2.2.1]heptanyl)-diphenoxysilane

bis(2-bicyclo[2.2.1]heptanyl)-diphenoxysilane (PubChem CID 66915791) has the molecular formula C26H32O2Si and a molecular weight of 404.63 g/mol. Its IUPAC name is bis(2-bicyclo[2.2.1]heptanyl)-diphenoxysilane.

Molecular Properties

Compound Namebis(2-bicyclo[2.2.1]heptanyl)-diphenoxysilane
PubChem CID66915791
Molecular FormulaC26H32O2Si
Molecular Weight404.63 g/mol
Exact Mass404.22
IUPAC Namebis(2-bicyclo[2.2.1]heptanyl)-diphenoxysilane
SMILESc1ccc(O[Si](Oc2ccccc2)(C2CC3CCC2C3)C2CC3CCC2C3)cc1
InChIInChI=1S/C26H32O2Si/c1-3-7-23(8-4-1)27-29(28-24-9-5-2-6-10-24,25-17-19-11-13-21(25)15-19)26-18-20-12-14-22(26)16-20/h1-10,19-22,25-26H,11-18H2
InChIKeySFEOYYAMGQPRMZ-UHFFFAOYSA-N
XLogP6.97
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 ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1E)-2-cyclohexylpenta-1,4-dienyl]-phenoxy-diphenylsilane
CID 101410184
8-(2-Bicyclo[2.2.1]heptanyl)-8,8'-spirobi[7,9-dioxa-8-silanuidabicyclo[4.3.0]nona-1,3,5-triene]
CID 138973317
2-Bicyclo[2.2.1]heptanyl-dimethyl-phenoxysilane
CID 20776382
2-Bicyclo[2.2.1]hept-5-enyl(triphenoxy)silane
CID 22388823
1-Bicyclo[2.2.1]heptanyl-dimethyl-phenoxysilane
CID 22497318
1-Bicyclo[2.2.1]heptanyl(triphenoxy)silane
CID 22673212
Bis(1-bicyclo[2.2.1]heptanyl)-diphenoxysilane
CID 22673218
diphenoxy-bis[(E)-2-phenylethenyl]silane
CID 23109728
Dibenzyl(diphenoxy)silane
CID 58097770
2-Bicyclo[2.2.1]hept-5-enyl-methyl-diphenoxysilane
CID 66646198
2-Bicyclo[2.2.1]heptanyl(triphenoxy)silane
CID 66915928
2-Ethylhexyl(triphenoxy)silane
CID 69199593

Frequently Asked Questions

What is the IUPAC name of bis(2-bicyclo[2.2.1]heptanyl)-diphenoxysilane?
The IUPAC name of bis(2-bicyclo[2.2.1]heptanyl)-diphenoxysilane (CID 66915791) is bis(2-bicyclo[2.2.1]heptanyl)-diphenoxysilane.
What is the SMILES notation for bis(2-bicyclo[2.2.1]heptanyl)-diphenoxysilane?
The canonical SMILES for bis(2-bicyclo[2.2.1]heptanyl)-diphenoxysilane is c1ccc(O[Si](Oc2ccccc2)(C2CC3CCC2C3)C2CC3CCC2C3)cc1.
What is the InChIKey of bis(2-bicyclo[2.2.1]heptanyl)-diphenoxysilane?
The InChIKey is SFEOYYAMGQPRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32O2Si/c1-3-7-23(8-4-1)27-29(28-24-9-5-2-6-10-24,25-17-19-11-13-21(25)15-19)26-18-20-12-14-22(26)16-20/h1-10,19-22,25-26H,11-18H2.
What are the key properties of bis(2-bicyclo[2.2.1]heptanyl)-diphenoxysilane?
bis(2-bicyclo[2.2.1]heptanyl)-diphenoxysilane has a molecular weight of 404.63 g/mol, XLogP of 6.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-bicyclo[2.2.1]heptanyl)-diphenoxysilane is sourced from PubChem (CID 66915791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).