[[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxy-2-pyridinyl]-phenylmethyl] acetate

C28H35NO4Si — CID 18182272

IUPAC[[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxy-2-pyridinyl]-phenylmethyl] acetate
SMILESCC(=O)OC(c1ccccc1)c1nc(CO[Si](C)(C)C(C)(C)C)ccc1OCc1ccccc1
InChIInChI=1S/C28H35NO4Si/c1-21(30)33-27(23-15-11-8-12-16-23)26-25(31-19-22-13-9-7-10-14-22)18-17-24(29-26)20-32-34(5,6)28(2,3)4/h7-18,27H,19-20H2,1-6H3
InChIKeyVCJAJHPJXVKYKY-UHFFFAOYSA-N
MW477.68 g/mol
LogP6.83
Rot. Bonds9

About [[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxy-2-pyridinyl]-phenylmethyl] acetate

[[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxy-2-pyridinyl]-phenylmethyl] acetate (PubChem CID 18182272) has the molecular formula C28H35NO4Si and a molecular weight of 477.68 g/mol. Its IUPAC name is [[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxy-2-pyridinyl]-phenylmethyl] acetate.

Molecular Properties

Compound Name[[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxy-2-pyridinyl]-phenylmethyl] acetate
PubChem CID18182272
Molecular FormulaC28H35NO4Si
Molecular Weight477.68 g/mol
Exact Mass477.23
IUPAC Name[[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxy-2-pyridinyl]-phenylmethyl] acetate
SMILESCC(=O)OC(c1ccccc1)c1nc(CO[Si](C)(C)C(C)(C)C)ccc1OCc1ccccc1
InChIInChI=1S/C28H35NO4Si/c1-21(30)33-27(23-15-11-8-12-16-23)26-25(31-19-22-13-9-7-10-14-22)18-17-24(29-26)20-32-34(5,6)28(2,3)4/h7-18,27H,19-20H2,1-6H3
InChIKeyVCJAJHPJXVKYKY-UHFFFAOYSA-N
XLogP6.83
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.68
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylmethoxyphenyl]ethanol
CID 76807098
benzhydryl (2S)-2-bromo-3-[tert-butyl(dimethyl)silyl]oxypropanoate
CID 153349520
2-benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridin-3-ol
CID 18182288
tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyphenyl]methoxy]-dimethylsilane
CID 57099550
[acetyloxy-(4-methoxy-3-phenylmethoxyphenyl)methyl] acetate
CID 101183057
benzyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxybutanoate
CID 46179798
N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxamide
CID 86713410
acetic acid;[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] acetate
CID 90798603
benzhydryl acetate;hydrazine
CID 122610283
tert-butyl-[[2-chloro-4,6-bis(phenylmethoxy)-3-pyridinyl]methoxy]-dimethylsilane;5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-2,4-bis(phenylmethoxy)pyridine-3-carboxylic acid
CID 159227039
[(3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-(phenylmethoxycarbonylamino)pent-1-en-3-yl] acetate
CID 10971559
6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-3-phenylmethoxy-N-propan-2-ylpyran-2-carboxamide
CID 88612540

Frequently Asked Questions

What is the IUPAC name of [[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxy-2-pyridinyl]-phenylmethyl] acetate?
The IUPAC name of [[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxy-2-pyridinyl]-phenylmethyl] acetate (CID 18182272) is [[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxy-2-pyridinyl]-phenylmethyl] acetate.
What is the SMILES notation for [[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxy-2-pyridinyl]-phenylmethyl] acetate?
The canonical SMILES for [[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxy-2-pyridinyl]-phenylmethyl] acetate is CC(=O)OC(c1ccccc1)c1nc(CO[Si](C)(C)C(C)(C)C)ccc1OCc1ccccc1.
What is the InChIKey of [[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxy-2-pyridinyl]-phenylmethyl] acetate?
The InChIKey is VCJAJHPJXVKYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35NO4Si/c1-21(30)33-27(23-15-11-8-12-16-23)26-25(31-19-22-13-9-7-10-14-22)18-17-24(29-26)20-32-34(5,6)28(2,3)4/h7-18,27H,19-20H2,1-6H3.
What are the key properties of [[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxy-2-pyridinyl]-phenylmethyl] acetate?
[[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxy-2-pyridinyl]-phenylmethyl] acetate has a molecular weight of 477.68 g/mol, XLogP of 6.83, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxy-2-pyridinyl]-phenylmethyl] acetate is sourced from PubChem (CID 18182272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).