bis(2-bicyclo[2.2.1]hept-5-enylmethoxy)-diphenylsilane

C28H32O2Si — CID 22983009

IUPACbis(2-bicyclo[2.2.1]hept-5-enylmethoxy)-diphenylsilane
SMILESC1=CC2CC1CC2CO[Si](OCC1CC2C=CC1C2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32O2Si/c1-3-7-27(8-4-1)31(28-9-5-2-6-10-28,29-19-25-17-21-11-13-23(25)15-21)30-20-26-18-22-12-14-24(26)16-22/h1-14,21-26H,15-20H2
InChIKeyAGPKQSKBOVRCNA-UHFFFAOYSA-N
MW428.65 g/mol
LogP4.70
Rot. Bonds8

About bis(2-bicyclo[2.2.1]hept-5-enylmethoxy)-diphenylsilane

bis(2-bicyclo[2.2.1]hept-5-enylmethoxy)-diphenylsilane (PubChem CID 22983009) has the molecular formula C28H32O2Si and a molecular weight of 428.65 g/mol. Its IUPAC name is bis(2-bicyclo[2.2.1]hept-5-enylmethoxy)-diphenylsilane.

Molecular Properties

Compound Namebis(2-bicyclo[2.2.1]hept-5-enylmethoxy)-diphenylsilane
PubChem CID22983009
Molecular FormulaC28H32O2Si
Molecular Weight428.65 g/mol
Exact Mass428.22
IUPAC Namebis(2-bicyclo[2.2.1]hept-5-enylmethoxy)-diphenylsilane
SMILESC1=CC2CC1CC2CO[Si](OCC1CC2C=CC1C2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32O2Si/c1-3-7-27(8-4-1)31(28-9-5-2-6-10-28,29-19-25-17-21-11-13-23(25)15-21)30-20-26-18-22-12-14-24(26)16-22/h1-14,21-26H,15-20H2
InChIKeyAGPKQSKBOVRCNA-UHFFFAOYSA-N
XLogP4.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.65
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bicyclo[2.2.1]hept-5-enylmethoxy-ethyl-methyl-phenylsilane
CID 140775718
(1S,4R,5R)-5-(phenoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 100999801
CID 168904100
CID 168904100
2-bicyclo[2.2.1]hept-5-enylmethoxy-tri(propan-2-yl)silane
CID 100919043
[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl 2-phenylacetate
CID 98571872
[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxy-tert-butyl-dimethylsilane
CID 11436362
2-bicyclo[2.2.1]hept-5-enylmethyl 4-phenylbenzoate
CID 22237216
5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene
CID 21426212
5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]bicyclo[2.2.1]hept-2-ene
CID 86080234
[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methoxy-dimethylalumane
CID 16687358
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]aniline
CID 93281000
CID 22294495
CID 22294495

Frequently Asked Questions

What is the IUPAC name of bis(2-bicyclo[2.2.1]hept-5-enylmethoxy)-diphenylsilane?
The IUPAC name of bis(2-bicyclo[2.2.1]hept-5-enylmethoxy)-diphenylsilane (CID 22983009) is bis(2-bicyclo[2.2.1]hept-5-enylmethoxy)-diphenylsilane.
What is the SMILES notation for bis(2-bicyclo[2.2.1]hept-5-enylmethoxy)-diphenylsilane?
The canonical SMILES for bis(2-bicyclo[2.2.1]hept-5-enylmethoxy)-diphenylsilane is C1=CC2CC1CC2CO[Si](OCC1CC2C=CC1C2)(c1ccccc1)c1ccccc1.
What is the InChIKey of bis(2-bicyclo[2.2.1]hept-5-enylmethoxy)-diphenylsilane?
The InChIKey is AGPKQSKBOVRCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32O2Si/c1-3-7-27(8-4-1)31(28-9-5-2-6-10-28,29-19-25-17-21-11-13-23(25)15-21)30-20-26-18-22-12-14-24(26)16-22/h1-14,21-26H,15-20H2.
What are the key properties of bis(2-bicyclo[2.2.1]hept-5-enylmethoxy)-diphenylsilane?
bis(2-bicyclo[2.2.1]hept-5-enylmethoxy)-diphenylsilane has a molecular weight of 428.65 g/mol, XLogP of 4.70, 8 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]hept-5-enylmethoxy)-diphenylsilane is sourced from PubChem (CID 22983009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).