tert-butyl-dimethyl-[phenyl(pyridin-4-yl)methoxy]silane

C18H25NOSi — CID 154715248

IUPACtert-butyl-dimethyl-[phenyl(pyridin-4-yl)methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC(c1ccccc1)c1ccncc1
InChIInChI=1S/C18H25NOSi/c1-18(2,3)21(4,5)20-17(15-9-7-6-8-10-15)16-11-13-19-14-12-16/h6-14,17H,1-5H3
InChIKeyHMQXSUPGBOFNNK-UHFFFAOYSA-N
MW299.49 g/mol
LogP5.19
Rot. Bonds4

About tert-butyl-dimethyl-[phenyl(pyridin-4-yl)methoxy]silane

tert-butyl-dimethyl-[phenyl(pyridin-4-yl)methoxy]silane (PubChem CID 154715248) has the molecular formula C18H25NOSi and a molecular weight of 299.49 g/mol. Its IUPAC name is tert-butyl-dimethyl-[phenyl(pyridin-4-yl)methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[phenyl(pyridin-4-yl)methoxy]silane
PubChem CID154715248
Molecular FormulaC18H25NOSi
Molecular Weight299.49 g/mol
Exact Mass299.17
IUPAC Nametert-butyl-dimethyl-[phenyl(pyridin-4-yl)methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC(c1ccccc1)c1ccncc1
InChIInChI=1S/C18H25NOSi/c1-18(2,3)21(4,5)20-17(15-9-7-6-8-10-15)16-11-13-19-14-12-16/h6-14,17H,1-5H3
InChIKeyHMQXSUPGBOFNNK-UHFFFAOYSA-N
XLogP5.19
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.49
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 tert-butyl-dimethyl-[phenyl(pyridin-4-yl)methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[phenyl(pyridin-4-yl)methoxy]silane (CID 154715248) is tert-butyl-dimethyl-[phenyl(pyridin-4-yl)methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[phenyl(pyridin-4-yl)methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[phenyl(pyridin-4-yl)methoxy]silane is CC(C)(C)[Si](C)(C)OC(c1ccccc1)c1ccncc1.
What is the InChIKey of tert-butyl-dimethyl-[phenyl(pyridin-4-yl)methoxy]silane?
The InChIKey is HMQXSUPGBOFNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOSi/c1-18(2,3)21(4,5)20-17(15-9-7-6-8-10-15)16-11-13-19-14-12-16/h6-14,17H,1-5H3.
What are the key properties of tert-butyl-dimethyl-[phenyl(pyridin-4-yl)methoxy]silane?
tert-butyl-dimethyl-[phenyl(pyridin-4-yl)methoxy]silane has a molecular weight of 299.49 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[phenyl(pyridin-4-yl)methoxy]silane is sourced from PubChem (CID 154715248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).