tert-butyl-[(2-chloro-4-pyridinyl)-phenylmethoxy]-dimethylsilane

C18H24ClNOSi — CID 154714151

IUPACtert-butyl-[(2-chloro-4-pyridinyl)-phenylmethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC(c1ccccc1)c1ccnc(Cl)c1
InChIInChI=1S/C18H24ClNOSi/c1-18(2,3)22(4,5)21-17(14-9-7-6-8-10-14)15-11-12-20-16(19)13-15/h6-13,17H,1-5H3
InChIKeyUWHYBUOYCVZRBH-UHFFFAOYSA-N
MW333.94 g/mol
LogP5.85
Rot. Bonds4

About tert-butyl-[(2-chloro-4-pyridinyl)-phenylmethoxy]-dimethylsilane

tert-butyl-[(2-chloro-4-pyridinyl)-phenylmethoxy]-dimethylsilane (PubChem CID 154714151) has the molecular formula C18H24ClNOSi and a molecular weight of 333.94 g/mol. Its IUPAC name is tert-butyl-[(2-chloro-4-pyridinyl)-phenylmethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2-chloro-4-pyridinyl)-phenylmethoxy]-dimethylsilane
PubChem CID154714151
Molecular FormulaC18H24ClNOSi
Molecular Weight333.94 g/mol
Exact Mass333.13
IUPAC Nametert-butyl-[(2-chloro-4-pyridinyl)-phenylmethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC(c1ccccc1)c1ccnc(Cl)c1
InChIInChI=1S/C18H24ClNOSi/c1-18(2,3)22(4,5)21-17(14-9-7-6-8-10-14)15-11-12-20-16(19)13-15/h6-13,17H,1-5H3
InChIKeyUWHYBUOYCVZRBH-UHFFFAOYSA-N
XLogP5.85
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.94
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2-chloro-4-pyridinyl)-phenylmethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2-chloro-4-pyridinyl)-phenylmethoxy]-dimethylsilane (CID 154714151) is tert-butyl-[(2-chloro-4-pyridinyl)-phenylmethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2-chloro-4-pyridinyl)-phenylmethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2-chloro-4-pyridinyl)-phenylmethoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC(c1ccccc1)c1ccnc(Cl)c1.
What is the InChIKey of tert-butyl-[(2-chloro-4-pyridinyl)-phenylmethoxy]-dimethylsilane?
The InChIKey is UWHYBUOYCVZRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNOSi/c1-18(2,3)22(4,5)21-17(14-9-7-6-8-10-14)15-11-12-20-16(19)13-15/h6-13,17H,1-5H3.
What are the key properties of tert-butyl-[(2-chloro-4-pyridinyl)-phenylmethoxy]-dimethylsilane?
tert-butyl-[(2-chloro-4-pyridinyl)-phenylmethoxy]-dimethylsilane has a molecular weight of 333.94 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2-chloro-4-pyridinyl)-phenylmethoxy]-dimethylsilane is sourced from PubChem (CID 154714151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).