2-bicyclo[2.2.1]heptanyl(triphenoxy)silane

C25H26O3Si — CID 66915928

IUPAC2-bicyclo[2.2.1]heptanyl(triphenoxy)silane
SMILESc1ccc(O[Si](Oc2ccccc2)(Oc2ccccc2)C2CC3CCC2C3)cc1
InChIInChI=1S/C25H26O3Si/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/h1-15,20-21,25H,16-19H2
InChIKeyNEZSCVLTQCAHTI-UHFFFAOYSA-N
MW402.57 g/mol
LogP6.35
Rot. Bonds7

About 2-bicyclo[2.2.1]heptanyl(triphenoxy)silane

2-bicyclo[2.2.1]heptanyl(triphenoxy)silane (PubChem CID 66915928) has the molecular formula C25H26O3Si and a molecular weight of 402.57 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl(triphenoxy)silane.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl(triphenoxy)silane
PubChem CID66915928
Molecular FormulaC25H26O3Si
Molecular Weight402.57 g/mol
Exact Mass402.17
IUPAC Name2-bicyclo[2.2.1]heptanyl(triphenoxy)silane
SMILESc1ccc(O[Si](Oc2ccccc2)(Oc2ccccc2)C2CC3CCC2C3)cc1
InChIInChI=1S/C25H26O3Si/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/h1-15,20-21,25H,16-19H2
InChIKeyNEZSCVLTQCAHTI-UHFFFAOYSA-N
XLogP6.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.57
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bicyclo[2.2.1]heptanyl(triphenoxy)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl(triphenoxy)silane?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl(triphenoxy)silane (CID 66915928) is 2-bicyclo[2.2.1]heptanyl(triphenoxy)silane.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl(triphenoxy)silane?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl(triphenoxy)silane is c1ccc(O[Si](Oc2ccccc2)(Oc2ccccc2)C2CC3CCC2C3)cc1.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl(triphenoxy)silane?
The InChIKey is NEZSCVLTQCAHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O3Si/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/h1-15,20-21,25H,16-19H2.
What are the key properties of 2-bicyclo[2.2.1]heptanyl(triphenoxy)silane?
2-bicyclo[2.2.1]heptanyl(triphenoxy)silane has a molecular weight of 402.57 g/mol, XLogP of 6.35, 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]heptanyl(triphenoxy)silane is sourced from PubChem (CID 66915928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).