2-bicyclo[2.2.1]hept-5-enylmethoxy-methyl-diphenylsilane

C21H24OSi — CID 23448607

IUPAC2-bicyclo[2.2.1]hept-5-enylmethoxy-methyl-diphenylsilane
SMILESC[Si](OCC1CC2C=CC1C2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24OSi/c1-23(20-8-4-2-5-9-20,21-10-6-3-7-11-21)22-16-19-15-17-12-13-18(19)14-17/h2-13,17-19H,14-16H2,1H3
InChIKeyGLYQSCZFWIZWEF-UHFFFAOYSA-N
MW320.51 g/mol
LogP3.60
Rot. Bonds5

About 2-bicyclo[2.2.1]hept-5-enylmethoxy-methyl-diphenylsilane

2-bicyclo[2.2.1]hept-5-enylmethoxy-methyl-diphenylsilane (PubChem CID 23448607) has the molecular formula C21H24OSi and a molecular weight of 320.51 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enylmethoxy-methyl-diphenylsilane.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enylmethoxy-methyl-diphenylsilane
PubChem CID23448607
Molecular FormulaC21H24OSi
Molecular Weight320.51 g/mol
Exact Mass320.16
IUPAC Name2-bicyclo[2.2.1]hept-5-enylmethoxy-methyl-diphenylsilane
SMILESC[Si](OCC1CC2C=CC1C2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24OSi/c1-23(20-8-4-2-5-9-20,21-10-6-3-7-11-21)22-16-19-15-17-12-13-18(19)14-17/h2-13,17-19H,14-16H2,1H3
InChIKeyGLYQSCZFWIZWEF-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.51
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]hept-5-enylmethoxy-methyl-diphenylsilane?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enylmethoxy-methyl-diphenylsilane (CID 23448607) is 2-bicyclo[2.2.1]hept-5-enylmethoxy-methyl-diphenylsilane.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enylmethoxy-methyl-diphenylsilane?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enylmethoxy-methyl-diphenylsilane is C[Si](OCC1CC2C=CC1C2)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enylmethoxy-methyl-diphenylsilane?
The InChIKey is GLYQSCZFWIZWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24OSi/c1-23(20-8-4-2-5-9-20,21-10-6-3-7-11-21)22-16-19-15-17-12-13-18(19)14-17/h2-13,17-19H,14-16H2,1H3.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enylmethoxy-methyl-diphenylsilane?
2-bicyclo[2.2.1]hept-5-enylmethoxy-methyl-diphenylsilane has a molecular weight of 320.51 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-5-enylmethoxy-methyl-diphenylsilane is sourced from PubChem (CID 23448607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).