tert-butyl-[2-[5-tert-butyl-2-(5,6-dimethyl-4-phenylmethoxy-2-pyridinyl)phenoxy]ethoxy]-dimethylsilane

C32H45NO3Si — CID 169250219

IUPACtert-butyl-[2-[5-tert-butyl-2-(5,6-dimethyl-4-phenylmethoxy-2-pyridinyl)phenoxy]ethoxy]-dimethylsilane
SMILESCc1nc(-c2ccc(C(C)(C)C)cc2OCCO[Si](C)(C)C(C)(C)C)cc(OCc2ccccc2)c1C
InChIInChI=1S/C32H45NO3Si/c1-23-24(2)33-28(21-29(23)35-22-25-14-12-11-13-15-25)27-17-16-26(31(3,4)5)20-30(27)34-18-19-36-37(9,10)32(6,7)8/h11-17,20-21H,18-19,22H2,1-10H3
InChIKeyBJBZEMIYMVXYNX-UHFFFAOYSA-N
MW519.80 g/mol
LogP8.64
Rot. Bonds9

About tert-butyl-[2-[5-tert-butyl-2-(5,6-dimethyl-4-phenylmethoxy-2-pyridinyl)phenoxy]ethoxy]-dimethylsilane

tert-butyl-[2-[5-tert-butyl-2-(5,6-dimethyl-4-phenylmethoxy-2-pyridinyl)phenoxy]ethoxy]-dimethylsilane (PubChem CID 169250219) has the molecular formula C32H45NO3Si and a molecular weight of 519.80 g/mol. Its IUPAC name is tert-butyl-[2-[5-tert-butyl-2-(5,6-dimethyl-4-phenylmethoxy-2-pyridinyl)phenoxy]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[5-tert-butyl-2-(5,6-dimethyl-4-phenylmethoxy-2-pyridinyl)phenoxy]ethoxy]-dimethylsilane
PubChem CID169250219
Molecular FormulaC32H45NO3Si
Molecular Weight519.80 g/mol
Exact Mass519.32
IUPAC Nametert-butyl-[2-[5-tert-butyl-2-(5,6-dimethyl-4-phenylmethoxy-2-pyridinyl)phenoxy]ethoxy]-dimethylsilane
SMILESCc1nc(-c2ccc(C(C)(C)C)cc2OCCO[Si](C)(C)C(C)(C)C)cc(OCc2ccccc2)c1C
InChIInChI=1S/C32H45NO3Si/c1-23-24(2)33-28(21-29(23)35-22-25-14-12-11-13-15-25)27-17-16-26(31(3,4)5)20-30(27)34-18-19-36-37(9,10)32(6,7)8/h11-17,20-21H,18-19,22H2,1-10H3
InChIKeyBJBZEMIYMVXYNX-UHFFFAOYSA-N
XLogP8.64
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.80
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-bromo-6-(4-tert-butyl-2-methylphenyl)-2-methyl-4-phenylmethoxypyridine
CID 169250298
4-tert-butyl-2-phenylmethoxyphenol
CID 18795860
4-tert-butyl-1,2-bis[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]benzene
CID 139335896
tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyphenyl]methoxy]-dimethylsilane
CID 57099550
2-(4-tert-butyl-2-methylphenyl)-4-phenylmethoxyquinoline-5-carboxamide
CID 170409345
(5-bromo-4-methoxy-2-phenylmethoxyphenoxy)-tert-butyl-dimethylsilane
CID 59089862
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
2-bromo-4-tert-butyl-1-phenylmethoxybenzene
CID 15152030
1-[4-(5-tert-butyl-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 4036816
tert-butyl-[(4-tert-butylphenyl)methoxy]-dimethylsilane
CID 101140446
2-[1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]azetidin-3-yl]ethoxy-tert-butyl-dimethylsilane
CID 175959307
2-bromo-1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylmethoxyphenyl]ethanol
CID 76807098

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[5-tert-butyl-2-(5,6-dimethyl-4-phenylmethoxy-2-pyridinyl)phenoxy]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[5-tert-butyl-2-(5,6-dimethyl-4-phenylmethoxy-2-pyridinyl)phenoxy]ethoxy]-dimethylsilane (CID 169250219) is tert-butyl-[2-[5-tert-butyl-2-(5,6-dimethyl-4-phenylmethoxy-2-pyridinyl)phenoxy]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[5-tert-butyl-2-(5,6-dimethyl-4-phenylmethoxy-2-pyridinyl)phenoxy]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[5-tert-butyl-2-(5,6-dimethyl-4-phenylmethoxy-2-pyridinyl)phenoxy]ethoxy]-dimethylsilane is Cc1nc(-c2ccc(C(C)(C)C)cc2OCCO[Si](C)(C)C(C)(C)C)cc(OCc2ccccc2)c1C.
What is the InChIKey of tert-butyl-[2-[5-tert-butyl-2-(5,6-dimethyl-4-phenylmethoxy-2-pyridinyl)phenoxy]ethoxy]-dimethylsilane?
The InChIKey is BJBZEMIYMVXYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45NO3Si/c1-23-24(2)33-28(21-29(23)35-22-25-14-12-11-13-15-25)27-17-16-26(31(3,4)5)20-30(27)34-18-19-36-37(9,10)32(6,7)8/h11-17,20-21H,18-19,22H2,1-10H3.
What are the key properties of tert-butyl-[2-[5-tert-butyl-2-(5,6-dimethyl-4-phenylmethoxy-2-pyridinyl)phenoxy]ethoxy]-dimethylsilane?
tert-butyl-[2-[5-tert-butyl-2-(5,6-dimethyl-4-phenylmethoxy-2-pyridinyl)phenoxy]ethoxy]-dimethylsilane has a molecular weight of 519.80 g/mol, XLogP of 8.64, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[5-tert-butyl-2-(5,6-dimethyl-4-phenylmethoxy-2-pyridinyl)phenoxy]ethoxy]-dimethylsilane is sourced from PubChem (CID 169250219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).