tert-butyl-dimethyl-[2-[2-[2-[(3-nitro-2-pyridinyl)oxy]phenyl]propan-2-yloxy]ethoxy]silane

C22H32N2O5Si — CID 68532997

IUPACtert-butyl-dimethyl-[2-[2-[2-[(3-nitro-2-pyridinyl)oxy]phenyl]propan-2-yloxy]ethoxy]silane
SMILESCC(C)(OCCO[Si](C)(C)C(C)(C)C)c1ccccc1Oc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C22H32N2O5Si/c1-21(2,3)30(6,7)28-16-15-27-22(4,5)17-11-8-9-13-19(17)29-20-18(24(25)26)12-10-14-23-20/h8-14H,15-16H2,1-7H3
InChIKeyVJOVLZAQCUAKPZ-UHFFFAOYSA-N
MW432.59 g/mol
LogP6.06
Rot. Bonds9

About tert-butyl-dimethyl-[2-[2-[2-[(3-nitro-2-pyridinyl)oxy]phenyl]propan-2-yloxy]ethoxy]silane

tert-butyl-dimethyl-[2-[2-[2-[(3-nitro-2-pyridinyl)oxy]phenyl]propan-2-yloxy]ethoxy]silane (PubChem CID 68532997) has the molecular formula C22H32N2O5Si and a molecular weight of 432.59 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-[2-[2-[(3-nitro-2-pyridinyl)oxy]phenyl]propan-2-yloxy]ethoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-[2-[2-[(3-nitro-2-pyridinyl)oxy]phenyl]propan-2-yloxy]ethoxy]silane
PubChem CID68532997
Molecular FormulaC22H32N2O5Si
Molecular Weight432.59 g/mol
Exact Mass432.21
IUPAC Nametert-butyl-dimethyl-[2-[2-[2-[(3-nitro-2-pyridinyl)oxy]phenyl]propan-2-yloxy]ethoxy]silane
SMILESCC(C)(OCCO[Si](C)(C)C(C)(C)C)c1ccccc1Oc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C22H32N2O5Si/c1-21(2,3)30(6,7)28-16-15-27-22(4,5)17-11-8-9-13-19(17)29-20-18(24(25)26)12-10-14-23-20/h8-14H,15-16H2,1-7H3
InChIKeyVJOVLZAQCUAKPZ-UHFFFAOYSA-N
XLogP6.06
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.59
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-nitro-2-[2-[[2-[(3-nitro-2-pyridinyl)oxy]phenyl]disulfanyl]phenoxy]pyridine
CID 618978
3-bromo-2-(2-nitrophenoxy)pyridine
CID 61373940
tert-butyl-dimethyl-[2-(4-methyl-3-nitrophenoxy)ethoxy]silane
CID 69453503
2-[4-(4-methylphenoxy)phenoxy]-3-nitropyridine
CID 24632876
2-(3,5-dimethylphenoxy)-3-nitropyridine
CID 12675961
2-methyl-1-[(3-nitro-2-pyridinyl)oxy]butan-2-amine
CID 64571278
tert-butyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[(E)-2-nitroethenyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]silane
CID 169175784
N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine
CID 61168630
3-nitro-2-phenoxypyridine;2-phenoxypyridin-3-amine
CID 160580310
3-methyl-5-[(3-nitro-2-pyridinyl)oxy]phenol
CID 107680779
1-(3,3-dimethylbutoxy)-2-nitrobenzene
CID 112827923
[(2S,6S)-4-benzyl-6-[(2-nitrophenoxy)methyl]morpholin-2-yl]methoxy-tert-butyl-dimethylsilane
CID 140800838

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2-[2-[2-[(3-nitro-2-pyridinyl)oxy]phenyl]propan-2-yloxy]ethoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[2-[2-[2-[(3-nitro-2-pyridinyl)oxy]phenyl]propan-2-yloxy]ethoxy]silane (CID 68532997) is tert-butyl-dimethyl-[2-[2-[2-[(3-nitro-2-pyridinyl)oxy]phenyl]propan-2-yloxy]ethoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[2-[2-[2-[(3-nitro-2-pyridinyl)oxy]phenyl]propan-2-yloxy]ethoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[2-[2-[2-[(3-nitro-2-pyridinyl)oxy]phenyl]propan-2-yloxy]ethoxy]silane is CC(C)(OCCO[Si](C)(C)C(C)(C)C)c1ccccc1Oc1ncccc1[N+](=O)[O-].
What is the InChIKey of tert-butyl-dimethyl-[2-[2-[2-[(3-nitro-2-pyridinyl)oxy]phenyl]propan-2-yloxy]ethoxy]silane?
The InChIKey is VJOVLZAQCUAKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O5Si/c1-21(2,3)30(6,7)28-16-15-27-22(4,5)17-11-8-9-13-19(17)29-20-18(24(25)26)12-10-14-23-20/h8-14H,15-16H2,1-7H3.
What are the key properties of tert-butyl-dimethyl-[2-[2-[2-[(3-nitro-2-pyridinyl)oxy]phenyl]propan-2-yloxy]ethoxy]silane?
tert-butyl-dimethyl-[2-[2-[2-[(3-nitro-2-pyridinyl)oxy]phenyl]propan-2-yloxy]ethoxy]silane has a molecular weight of 432.59 g/mol, XLogP of 6.06, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-[2-[2-[(3-nitro-2-pyridinyl)oxy]phenyl]propan-2-yloxy]ethoxy]silane is sourced from PubChem (CID 68532997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).