tert-butyl-[3-[(2-chloro-4-pyridinyl)oxy]butoxy]-dimethylsilane

C15H26ClNO2Si — CID 171372611

IUPACtert-butyl-[3-[(2-chloro-4-pyridinyl)oxy]butoxy]-dimethylsilane
SMILESCC(CCO[Si](C)(C)C(C)(C)C)Oc1ccnc(Cl)c1
InChIInChI=1S/C15H26ClNO2Si/c1-12(19-13-7-9-17-14(16)11-13)8-10-18-20(5,6)15(2,3)4/h7,9,11-12H,8,10H2,1-6H3
InChIKeyVFMUUCGISQMSRH-UHFFFAOYSA-N
MW315.92 g/mol
LogP4.91
Rot. Bonds6

About tert-butyl-[3-[(2-chloro-4-pyridinyl)oxy]butoxy]-dimethylsilane

tert-butyl-[3-[(2-chloro-4-pyridinyl)oxy]butoxy]-dimethylsilane (PubChem CID 171372611) has the molecular formula C15H26ClNO2Si and a molecular weight of 315.92 g/mol. Its IUPAC name is tert-butyl-[3-[(2-chloro-4-pyridinyl)oxy]butoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-[(2-chloro-4-pyridinyl)oxy]butoxy]-dimethylsilane
PubChem CID171372611
Molecular FormulaC15H26ClNO2Si
Molecular Weight315.92 g/mol
Exact Mass315.14
IUPAC Nametert-butyl-[3-[(2-chloro-4-pyridinyl)oxy]butoxy]-dimethylsilane
SMILESCC(CCO[Si](C)(C)C(C)(C)C)Oc1ccnc(Cl)c1
InChIInChI=1S/C15H26ClNO2Si/c1-12(19-13-7-9-17-14(16)11-13)8-10-18-20(5,6)15(2,3)4/h7,9,11-12H,8,10H2,1-6H3
InChIKeyVFMUUCGISQMSRH-UHFFFAOYSA-N
XLogP4.91
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.92
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[3-[(2-chloro-4-pyridinyl)oxy]butoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[3-[(2-chloro-4-pyridinyl)oxy]butoxy]-dimethylsilane (CID 171372611) is tert-butyl-[3-[(2-chloro-4-pyridinyl)oxy]butoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-[(2-chloro-4-pyridinyl)oxy]butoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-[(2-chloro-4-pyridinyl)oxy]butoxy]-dimethylsilane is CC(CCO[Si](C)(C)C(C)(C)C)Oc1ccnc(Cl)c1.
What is the InChIKey of tert-butyl-[3-[(2-chloro-4-pyridinyl)oxy]butoxy]-dimethylsilane?
The InChIKey is VFMUUCGISQMSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClNO2Si/c1-12(19-13-7-9-17-14(16)11-13)8-10-18-20(5,6)15(2,3)4/h7,9,11-12H,8,10H2,1-6H3.
What are the key properties of tert-butyl-[3-[(2-chloro-4-pyridinyl)oxy]butoxy]-dimethylsilane?
tert-butyl-[3-[(2-chloro-4-pyridinyl)oxy]butoxy]-dimethylsilane has a molecular weight of 315.92 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-[(2-chloro-4-pyridinyl)oxy]butoxy]-dimethylsilane is sourced from PubChem (CID 171372611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).