tert-butyl-[[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-4-yl]oxy]-dimethylsilane

C17H37NO3Si2 — CID 102470285

IUPACtert-butyl-[[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-4-yl]oxy]-dimethylsilane
SMILESCC1=[N+]([O-])C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H37NO3Si2/c1-13-15(21-23(10,11)17(5,6)7)14(12-18(13)19)20-22(8,9)16(2,3)4/h14-15H,12H2,1-11H3/t14-,15-/m0/s1
InChIKeyPNCVPONVIHWGHU-GJZGRUSLSA-N
MW359.66 g/mol
LogP4.75
Rot. Bonds4

About tert-butyl-[[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-4-yl]oxy]-dimethylsilane

tert-butyl-[[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-4-yl]oxy]-dimethylsilane (PubChem CID 102470285) has the molecular formula C17H37NO3Si2 and a molecular weight of 359.66 g/mol. Its IUPAC name is tert-butyl-[[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-4-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-4-yl]oxy]-dimethylsilane
PubChem CID102470285
Molecular FormulaC17H37NO3Si2
Molecular Weight359.66 g/mol
Exact Mass359.23
IUPAC Nametert-butyl-[[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-4-yl]oxy]-dimethylsilane
SMILESCC1=[N+]([O-])C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H37NO3Si2/c1-13-15(21-23(10,11)17(5,6)7)14(12-18(13)19)20-22(8,9)16(2,3)4/h14-15H,12H2,1-11H3/t14-,15-/m0/s1
InChIKeyPNCVPONVIHWGHU-GJZGRUSLSA-N
XLogP4.75
TPSA44.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.66
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-3,4-dihydro-2H-pyrrol-4-yl]oxy]-dimethylsilane
CID 102470284
tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane
CID 158464609
(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol
CID 101111315
3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclobutan-1-one
CID 14034886
(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methylpyrrolidine-2,5-dione
CID 10981612
(4S,5S,6aS)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5,6,6a-tetrahydro-1H-pentalen-2-one
CID 15835326
CID 90782135
CID 90782135
tert-butyl-[[(3R)-5-(3,3-dimethoxypropyl)-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-3-yl]oxy]-dimethylsilane
CID 56641398
(1R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(hydroxymethyl)-2-methylcyclopent-2-en-1-ol
CID 135040437
(1S,3S,4S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3,5,5-trimethylbicyclo[2.2.2]octan-2-one
CID 124605260
(1S,4S,5S,7aS)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methyl-1,4,5,6,7,7a-hexahydroinden-2-one
CID 10835419
(1R,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclopentane-1,2-diol
CID 53497048

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-4-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-4-yl]oxy]-dimethylsilane (CID 102470285) is tert-butyl-[[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-4-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-4-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-4-yl]oxy]-dimethylsilane is CC1=[N+]([O-])C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-4-yl]oxy]-dimethylsilane?
The InChIKey is PNCVPONVIHWGHU-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H37NO3Si2/c1-13-15(21-23(10,11)17(5,6)7)14(12-18(13)19)20-22(8,9)16(2,3)4/h14-15H,12H2,1-11H3/t14-,15-/m0/s1.
What are the key properties of tert-butyl-[[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-4-yl]oxy]-dimethylsilane?
tert-butyl-[[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-4-yl]oxy]-dimethylsilane has a molecular weight of 359.66 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-1-oxido-3,4-dihydro-2H-pyrrol-1-ium-4-yl]oxy]-dimethylsilane is sourced from PubChem (CID 102470285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).