2-(5-bromo-2-pyridinyl)propan-2-yloxy-tert-butyl-dimethylsilane

C14H24BrNOSi — CID 59526374

IUPAC2-(5-bromo-2-pyridinyl)propan-2-yloxy-tert-butyl-dimethylsilane
SMILESCC(C)(O[Si](C)(C)C(C)(C)C)c1ccc(Br)cn1
InChIInChI=1S/C14H24BrNOSi/c1-13(2,3)18(6,7)17-14(4,5)12-9-8-11(15)10-16-12/h8-10H,1-7H3
InChIKeyMFOBLZAKOUBTGW-UHFFFAOYSA-N
MW330.34 g/mol
LogP5.10
Rot. Bonds3

About 2-(5-bromo-2-pyridinyl)propan-2-yloxy-tert-butyl-dimethylsilane

2-(5-bromo-2-pyridinyl)propan-2-yloxy-tert-butyl-dimethylsilane (PubChem CID 59526374) has the molecular formula C14H24BrNOSi and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)propan-2-yloxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)propan-2-yloxy-tert-butyl-dimethylsilane
PubChem CID59526374
Molecular FormulaC14H24BrNOSi
Molecular Weight330.34 g/mol
Exact Mass329.08
IUPAC Name2-(5-bromo-2-pyridinyl)propan-2-yloxy-tert-butyl-dimethylsilane
SMILESCC(C)(O[Si](C)(C)C(C)(C)C)c1ccc(Br)cn1
InChIInChI=1S/C14H24BrNOSi/c1-13(2,3)18(6,7)17-14(4,5)12-9-8-11(15)10-16-12/h8-10H,1-7H3
InChIKeyMFOBLZAKOUBTGW-UHFFFAOYSA-N
XLogP5.10
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.34
LogP ≤ 55.10
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 2-(5-bromo-2-pyridinyl)propan-2-yloxy-tert-butyl-dimethylsilane?
The IUPAC name of 2-(5-bromo-2-pyridinyl)propan-2-yloxy-tert-butyl-dimethylsilane (CID 59526374) is 2-(5-bromo-2-pyridinyl)propan-2-yloxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)propan-2-yloxy-tert-butyl-dimethylsilane?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)propan-2-yloxy-tert-butyl-dimethylsilane is CC(C)(O[Si](C)(C)C(C)(C)C)c1ccc(Br)cn1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)propan-2-yloxy-tert-butyl-dimethylsilane?
The InChIKey is MFOBLZAKOUBTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrNOSi/c1-13(2,3)18(6,7)17-14(4,5)12-9-8-11(15)10-16-12/h8-10H,1-7H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)propan-2-yloxy-tert-butyl-dimethylsilane?
2-(5-bromo-2-pyridinyl)propan-2-yloxy-tert-butyl-dimethylsilane has a molecular weight of 330.34 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)propan-2-yloxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 59526374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).