tert-butyl-[1-[(6-chloro-3-pyridinyl)oxy]-3-methoxypropan-2-yl]oxy-dimethylsilane

C15H26ClNO3Si — CID 87132435

IUPACtert-butyl-[1-[(6-chloro-3-pyridinyl)oxy]-3-methoxypropan-2-yl]oxy-dimethylsilane
SMILESCOCC(COc1ccc(Cl)nc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H26ClNO3Si/c1-15(2,3)21(5,6)20-13(10-18-4)11-19-12-7-8-14(16)17-9-12/h7-9,13H,10-11H2,1-6H3
InChIKeyCLPDNRHEMXNGFM-UHFFFAOYSA-N
MW331.92 g/mol
LogP4.15
Rot. Bonds7

About tert-butyl-[1-[(6-chloro-3-pyridinyl)oxy]-3-methoxypropan-2-yl]oxy-dimethylsilane

tert-butyl-[1-[(6-chloro-3-pyridinyl)oxy]-3-methoxypropan-2-yl]oxy-dimethylsilane (PubChem CID 87132435) has the molecular formula C15H26ClNO3Si and a molecular weight of 331.92 g/mol. Its IUPAC name is tert-butyl-[1-[(6-chloro-3-pyridinyl)oxy]-3-methoxypropan-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-[(6-chloro-3-pyridinyl)oxy]-3-methoxypropan-2-yl]oxy-dimethylsilane
PubChem CID87132435
Molecular FormulaC15H26ClNO3Si
Molecular Weight331.92 g/mol
Exact Mass331.14
IUPAC Nametert-butyl-[1-[(6-chloro-3-pyridinyl)oxy]-3-methoxypropan-2-yl]oxy-dimethylsilane
SMILESCOCC(COc1ccc(Cl)nc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H26ClNO3Si/c1-15(2,3)21(5,6)20-13(10-18-4)11-19-12-7-8-14(16)17-9-12/h7-9,13H,10-11H2,1-6H3
InChIKeyCLPDNRHEMXNGFM-UHFFFAOYSA-N
XLogP4.15
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.92
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[1-[(6-chloro-3-pyridinyl)oxy]-3-methoxypropan-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[1-[(6-chloro-3-pyridinyl)oxy]-3-methoxypropan-2-yl]oxy-dimethylsilane (CID 87132435) is tert-butyl-[1-[(6-chloro-3-pyridinyl)oxy]-3-methoxypropan-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-[(6-chloro-3-pyridinyl)oxy]-3-methoxypropan-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[1-[(6-chloro-3-pyridinyl)oxy]-3-methoxypropan-2-yl]oxy-dimethylsilane is COCC(COc1ccc(Cl)nc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[1-[(6-chloro-3-pyridinyl)oxy]-3-methoxypropan-2-yl]oxy-dimethylsilane?
The InChIKey is CLPDNRHEMXNGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClNO3Si/c1-15(2,3)21(5,6)20-13(10-18-4)11-19-12-7-8-14(16)17-9-12/h7-9,13H,10-11H2,1-6H3.
What are the key properties of tert-butyl-[1-[(6-chloro-3-pyridinyl)oxy]-3-methoxypropan-2-yl]oxy-dimethylsilane?
tert-butyl-[1-[(6-chloro-3-pyridinyl)oxy]-3-methoxypropan-2-yl]oxy-dimethylsilane has a molecular weight of 331.92 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-[(6-chloro-3-pyridinyl)oxy]-3-methoxypropan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 87132435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).