1-bicyclo[2.2.1]heptanyl-dimethyl-phenoxysilane

C15H22OSi — CID 22497318

IUPAC1-bicyclo[2.2.1]heptanyl-dimethyl-phenoxysilane
SMILESC[Si](C)(Oc1ccccc1)C12CCC(CC1)C2
InChIInChI=1S/C15H22OSi/c1-17(2,16-14-6-4-3-5-7-14)15-10-8-13(12-15)9-11-15/h3-7,13H,8-12H2,1-2H3
InChIKeyXBWQQATURLUIHW-UHFFFAOYSA-N
MW246.43 g/mol
LogP4.60
Rot. Bonds3

About 1-bicyclo[2.2.1]heptanyl-dimethyl-phenoxysilane

1-bicyclo[2.2.1]heptanyl-dimethyl-phenoxysilane (PubChem CID 22497318) has the molecular formula C15H22OSi and a molecular weight of 246.43 g/mol. Its IUPAC name is 1-bicyclo[2.2.1]heptanyl-dimethyl-phenoxysilane.

Molecular Properties

Compound Name1-bicyclo[2.2.1]heptanyl-dimethyl-phenoxysilane
PubChem CID22497318
Molecular FormulaC15H22OSi
Molecular Weight246.43 g/mol
Exact Mass246.14
IUPAC Name1-bicyclo[2.2.1]heptanyl-dimethyl-phenoxysilane
SMILESC[Si](C)(Oc1ccccc1)C12CCC(CC1)C2
InChIInChI=1S/C15H22OSi/c1-17(2,16-14-6-4-3-5-7-14)15-10-8-13(12-15)9-11-15/h3-7,13H,8-12H2,1-2H3
InChIKeyXBWQQATURLUIHW-UHFFFAOYSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.43
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-bicyclo[2.2.1]heptanyl-dimethyl-phenoxysilane with MolForge

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

Launch Full Analysis

Related Compounds

CID 286939
CID 286939
CID 529234
CID 529234
CID 529235
CID 529235
CID 596631
CID 596631
CID 11310617
CID 11310617
CID 11356001
CID 11356001
CID 10998951
CID 10998951
CID 522070
CID 522070
CID 532643
CID 532643
CID 530905
CID 530905
CID 532639
CID 532639
CID 53769665
CID 53769665

Frequently Asked Questions

What is the IUPAC name of 1-bicyclo[2.2.1]heptanyl-dimethyl-phenoxysilane?
The IUPAC name of 1-bicyclo[2.2.1]heptanyl-dimethyl-phenoxysilane (CID 22497318) is 1-bicyclo[2.2.1]heptanyl-dimethyl-phenoxysilane.
What is the SMILES notation for 1-bicyclo[2.2.1]heptanyl-dimethyl-phenoxysilane?
The canonical SMILES for 1-bicyclo[2.2.1]heptanyl-dimethyl-phenoxysilane is C[Si](C)(Oc1ccccc1)C12CCC(CC1)C2.
What is the InChIKey of 1-bicyclo[2.2.1]heptanyl-dimethyl-phenoxysilane?
The InChIKey is XBWQQATURLUIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22OSi/c1-17(2,16-14-6-4-3-5-7-14)15-10-8-13(12-15)9-11-15/h3-7,13H,8-12H2,1-2H3.
What are the key properties of 1-bicyclo[2.2.1]heptanyl-dimethyl-phenoxysilane?
1-bicyclo[2.2.1]heptanyl-dimethyl-phenoxysilane has a molecular weight of 246.43 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[2.2.1]heptanyl-dimethyl-phenoxysilane is sourced from PubChem (CID 22497318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).