2-bicyclo[2.2.1]hept-5-enyl(triphenoxy)silane

C25H24O3Si — CID 22388823

IUPAC2-bicyclo[2.2.1]hept-5-enyl(triphenoxy)silane
SMILESC1=CC2CC1CC2[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C25H24O3Si/c1-4-10-22(11-5-1)26-29(27-23-12-6-2-7-13-23,28-24-14-8-3-9-15-24)25-19-20-16-17-21(25)18-20/h1-17,20-21,25H,18-19H2
InChIKeyQFGDIMGJFQZSHV-UHFFFAOYSA-N
MW400.55 g/mol
LogP6.13
Rot. Bonds7

About 2-bicyclo[2.2.1]hept-5-enyl(triphenoxy)silane

2-bicyclo[2.2.1]hept-5-enyl(triphenoxy)silane (PubChem CID 22388823) has the molecular formula C25H24O3Si and a molecular weight of 400.55 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enyl(triphenoxy)silane.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enyl(triphenoxy)silane
PubChem CID22388823
Molecular FormulaC25H24O3Si
Molecular Weight400.55 g/mol
Exact Mass400.15
IUPAC Name2-bicyclo[2.2.1]hept-5-enyl(triphenoxy)silane
SMILESC1=CC2CC1CC2[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C25H24O3Si/c1-4-10-22(11-5-1)26-29(27-23-12-6-2-7-13-23,28-24-14-8-3-9-15-24)25-19-20-16-17-21(25)18-20/h1-17,20-21,25H,18-19H2
InChIKeyQFGDIMGJFQZSHV-UHFFFAOYSA-N
XLogP6.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.55
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-enyl(triphenoxy)silane?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enyl(triphenoxy)silane (CID 22388823) is 2-bicyclo[2.2.1]hept-5-enyl(triphenoxy)silane.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enyl(triphenoxy)silane?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enyl(triphenoxy)silane is C1=CC2CC1CC2[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enyl(triphenoxy)silane?
The InChIKey is QFGDIMGJFQZSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O3Si/c1-4-10-22(11-5-1)26-29(27-23-12-6-2-7-13-23,28-24-14-8-3-9-15-24)25-19-20-16-17-21(25)18-20/h1-17,20-21,25H,18-19H2.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enyl(triphenoxy)silane?
2-bicyclo[2.2.1]hept-5-enyl(triphenoxy)silane has a molecular weight of 400.55 g/mol, XLogP of 6.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-5-enyl(triphenoxy)silane is sourced from PubChem (CID 22388823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).