2-bicyclo[2.2.1]heptanyl-dimethyl-phenoxysilane

C15H22OSi — CID 20776382

IUPAC2-bicyclo[2.2.1]heptanyl-dimethyl-phenoxysilane
SMILESC[Si](C)(Oc1ccccc1)C1CC2CCC1C2
InChIInChI=1S/C15H22OSi/c1-17(2,16-14-6-4-3-5-7-14)15-11-12-8-9-13(15)10-12/h3-7,12-13,15H,8-11H2,1-2H3
InChIKeyWONBYNZYORWKAW-UHFFFAOYSA-N
MW246.43 g/mol
LogP4.46
Rot. Bonds3

About 2-bicyclo[2.2.1]heptanyl-dimethyl-phenoxysilane

2-bicyclo[2.2.1]heptanyl-dimethyl-phenoxysilane (PubChem CID 20776382) has the molecular formula C15H22OSi and a molecular weight of 246.43 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-dimethyl-phenoxysilane.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl-dimethyl-phenoxysilane
PubChem CID20776382
Molecular FormulaC15H22OSi
Molecular Weight246.43 g/mol
Exact Mass246.14
IUPAC Name2-bicyclo[2.2.1]heptanyl-dimethyl-phenoxysilane
SMILESC[Si](C)(Oc1ccccc1)C1CC2CCC1C2
InChIInChI=1S/C15H22OSi/c1-17(2,16-14-6-4-3-5-7-14)15-11-12-8-9-13(15)10-12/h3-7,12-13,15H,8-11H2,1-2H3
InChIKeyWONBYNZYORWKAW-UHFFFAOYSA-N
XLogP4.46
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 ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl-dimethyl-phenoxysilane?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl-dimethyl-phenoxysilane (CID 20776382) is 2-bicyclo[2.2.1]heptanyl-dimethyl-phenoxysilane.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-dimethyl-phenoxysilane?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-dimethyl-phenoxysilane is C[Si](C)(Oc1ccccc1)C1CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-dimethyl-phenoxysilane?
The InChIKey is WONBYNZYORWKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22OSi/c1-17(2,16-14-6-4-3-5-7-14)15-11-12-8-9-13(15)10-12/h3-7,12-13,15H,8-11H2,1-2H3.
What are the key properties of 2-bicyclo[2.2.1]heptanyl-dimethyl-phenoxysilane?
2-bicyclo[2.2.1]heptanyl-dimethyl-phenoxysilane has a molecular weight of 246.43 g/mol, XLogP of 4.46, 3 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]heptanyl-dimethyl-phenoxysilane is sourced from PubChem (CID 20776382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).