triethyl-[[6-methyl-2-(3-nitro-4-pyridinyl)-3,6-dihydro-2H-pyran-4-yl]oxy]silane

C17H26N2O4Si — CID 66652024

IUPACtriethyl-[[6-methyl-2-(3-nitro-4-pyridinyl)-3,6-dihydro-2H-pyran-4-yl]oxy]silane
SMILESCC[Si](CC)(CC)OC1=CC(C)OC(c2ccncc2[N+](=O)[O-])C1
InChIInChI=1S/C17H26N2O4Si/c1-5-24(6-2,7-3)23-14-10-13(4)22-17(11-14)15-8-9-18-12-16(15)19(20)21/h8-10,12-13,17H,5-7,11H2,1-4H3
InChIKeyKGLUGTDWPZIVQS-UHFFFAOYSA-N
MW350.49 g/mol
LogP4.75
Rot. Bonds7

About triethyl-[[6-methyl-2-(3-nitro-4-pyridinyl)-3,6-dihydro-2H-pyran-4-yl]oxy]silane

triethyl-[[6-methyl-2-(3-nitro-4-pyridinyl)-3,6-dihydro-2H-pyran-4-yl]oxy]silane (PubChem CID 66652024) has the molecular formula C17H26N2O4Si and a molecular weight of 350.49 g/mol. Its IUPAC name is triethyl-[[6-methyl-2-(3-nitro-4-pyridinyl)-3,6-dihydro-2H-pyran-4-yl]oxy]silane.

Molecular Properties

Compound Nametriethyl-[[6-methyl-2-(3-nitro-4-pyridinyl)-3,6-dihydro-2H-pyran-4-yl]oxy]silane
PubChem CID66652024
Molecular FormulaC17H26N2O4Si
Molecular Weight350.49 g/mol
Exact Mass350.17
IUPAC Nametriethyl-[[6-methyl-2-(3-nitro-4-pyridinyl)-3,6-dihydro-2H-pyran-4-yl]oxy]silane
SMILESCC[Si](CC)(CC)OC1=CC(C)OC(c2ccncc2[N+](=O)[O-])C1
InChIInChI=1S/C17H26N2O4Si/c1-5-24(6-2,7-3)23-14-10-13(4)22-17(11-14)15-8-9-18-12-16(15)19(20)21/h8-10,12-13,17H,5-7,11H2,1-4H3
InChIKeyKGLUGTDWPZIVQS-UHFFFAOYSA-N
XLogP4.75
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

(+/-)-4-((3S,4R,8S)-4-(tert-butyldimethylsilyloxy)-8-methyl-1-oxaspiro[2.5]oct-5-en-6-yl)-3-nitropyridine
CID 86670157
(+/-)4-(tert-butyldimethylsilyloxy)-5-fluoro-2,3-dimethyl-6-(3-nitropyridin-4-yl)tetrahydro-2H-pyran-3-ol
CID 66652160
(+/-)-2-(3-nitropyridin-4-yl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyran-4-yl acetate
CID 66652384
(+/-)5-fluoro-2,3-dimethyl-6-(3-nitropyridin-4-yl)tetrahydro-2H-pyran-3,4-diol
CID 66652831
(2R,3S,4S,5R,6S)-5-fluoro-2,3-dimethyl-6-(3-nitro-4-pyridinyl)oxane-3,4-diol
CID 67208249
(2R,3R,4R)-4-(tert-butyldimethylsilyloxy)-6-(3-nitropyridin-4-yl)-2-vinyl-3,4-dihydro-2H-pyran-3-yl trifluoromethanesulfonate
CID 86682545
[(2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-6-(3-nitro-4-pyridinyl)-3,4-dihydro-2H-pyran-3-yl] trifluoromethanesulfonate
CID 87090938
[4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-6-(3-nitro-4-pyridinyl)-3,4-dihydro-2H-pyran-3-yl] trifluoromethanesulfonate
CID 87090939
[(2R,3S,4R)-2-ethenyl-4-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-6-(3-nitro-4-pyridinyl)-3,4-dihydro-2H-pyran-3-yl] trifluoromethanesulfonate
CID 87310169
(2R,3R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-2,3-dimethyl-6-(3-nitro-4-pyridinyl)oxan-3-ol
CID 89531912
2-Fluoro-2,3-dimethyl-6-(3-nitro-4-pyridinyl)oxane-3,4-diol
CID 141321126
(3S,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoro-3-methyl-2-methylidene-6-(3-nitro-4-pyridinyl)oxan-3-ol
CID 144309045

Frequently Asked Questions

What is the IUPAC name of triethyl-[[6-methyl-2-(3-nitro-4-pyridinyl)-3,6-dihydro-2H-pyran-4-yl]oxy]silane?
The IUPAC name of triethyl-[[6-methyl-2-(3-nitro-4-pyridinyl)-3,6-dihydro-2H-pyran-4-yl]oxy]silane (CID 66652024) is triethyl-[[6-methyl-2-(3-nitro-4-pyridinyl)-3,6-dihydro-2H-pyran-4-yl]oxy]silane.
What is the SMILES notation for triethyl-[[6-methyl-2-(3-nitro-4-pyridinyl)-3,6-dihydro-2H-pyran-4-yl]oxy]silane?
The canonical SMILES for triethyl-[[6-methyl-2-(3-nitro-4-pyridinyl)-3,6-dihydro-2H-pyran-4-yl]oxy]silane is CC[Si](CC)(CC)OC1=CC(C)OC(c2ccncc2[N+](=O)[O-])C1.
What is the InChIKey of triethyl-[[6-methyl-2-(3-nitro-4-pyridinyl)-3,6-dihydro-2H-pyran-4-yl]oxy]silane?
The InChIKey is KGLUGTDWPZIVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4Si/c1-5-24(6-2,7-3)23-14-10-13(4)22-17(11-14)15-8-9-18-12-16(15)19(20)21/h8-10,12-13,17H,5-7,11H2,1-4H3.
What are the key properties of triethyl-[[6-methyl-2-(3-nitro-4-pyridinyl)-3,6-dihydro-2H-pyran-4-yl]oxy]silane?
triethyl-[[6-methyl-2-(3-nitro-4-pyridinyl)-3,6-dihydro-2H-pyran-4-yl]oxy]silane has a molecular weight of 350.49 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[[6-methyl-2-(3-nitro-4-pyridinyl)-3,6-dihydro-2H-pyran-4-yl]oxy]silane is sourced from PubChem (CID 66652024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).