tert-butyl-[(3R,5R)-1-tert-butyl-5-methylpyrrolidin-3-yl]oxy-dimethylsilane

C15H33NOSi — CID 141203202

IUPACtert-butyl-[(3R,5R)-1-tert-butyl-5-methylpyrrolidin-3-yl]oxy-dimethylsilane
SMILESC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(C)(C)C
InChIInChI=1S/C15H33NOSi/c1-12-10-13(11-16(12)14(2,3)4)17-18(8,9)15(5,6)7/h12-13H,10-11H2,1-9H3/t12-,13-/m1/s1
InChIKeyBHPGNPFOERCSIQ-CHWSQXEVSA-N
MW271.52 g/mol
LogP4.27
Rot. Bonds2

About tert-butyl-[(3R,5R)-1-tert-butyl-5-methylpyrrolidin-3-yl]oxy-dimethylsilane

tert-butyl-[(3R,5R)-1-tert-butyl-5-methylpyrrolidin-3-yl]oxy-dimethylsilane (PubChem CID 141203202) has the molecular formula C15H33NOSi and a molecular weight of 271.52 g/mol. Its IUPAC name is tert-butyl-[(3R,5R)-1-tert-butyl-5-methylpyrrolidin-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3R,5R)-1-tert-butyl-5-methylpyrrolidin-3-yl]oxy-dimethylsilane
PubChem CID141203202
Molecular FormulaC15H33NOSi
Molecular Weight271.52 g/mol
Exact Mass271.23
IUPAC Nametert-butyl-[(3R,5R)-1-tert-butyl-5-methylpyrrolidin-3-yl]oxy-dimethylsilane
SMILESC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(C)(C)C
InChIInChI=1S/C15H33NOSi/c1-12-10-13(11-16(12)14(2,3)4)17-18(8,9)15(5,6)7/h12-13H,10-11H2,1-9H3/t12-,13-/m1/s1
InChIKeyBHPGNPFOERCSIQ-CHWSQXEVSA-N
XLogP4.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.52
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(1-benzyl-5-methylpyrrolidin-3-yl)oxy-tert-butyl-dimethylsilane
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(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylpiperidin-3-ol
CID 100975570
[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]methanol
CID 145222779
cis-(1R,3S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,3-diol
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tert-butyl-dimethyl-[(3R,5R)-5-methylpyrrolidin-1-id-3-yl]oxysilane
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tert-butyl-dimethyl-(3-methylcyclohexyl)oxysilane
CID 14087160
(2S,3R,3aS,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole-3-carbaldehyde
CID 11828374
(2R,4S)-1-tert-butyl-4-chloro-2-methylpyrrolidine
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tert-butyl-(1-hydroxypyrrolidin-3-yl)oxy-dimethylsilane
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3R,5R)-1-tert-butyl-5-methylpyrrolidin-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3R,5R)-1-tert-butyl-5-methylpyrrolidin-3-yl]oxy-dimethylsilane (CID 141203202) is tert-butyl-[(3R,5R)-1-tert-butyl-5-methylpyrrolidin-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3R,5R)-1-tert-butyl-5-methylpyrrolidin-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3R,5R)-1-tert-butyl-5-methylpyrrolidin-3-yl]oxy-dimethylsilane is C[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(C)(C)C.
What is the InChIKey of tert-butyl-[(3R,5R)-1-tert-butyl-5-methylpyrrolidin-3-yl]oxy-dimethylsilane?
The InChIKey is BHPGNPFOERCSIQ-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H33NOSi/c1-12-10-13(11-16(12)14(2,3)4)17-18(8,9)15(5,6)7/h12-13H,10-11H2,1-9H3/t12-,13-/m1/s1.
What are the key properties of tert-butyl-[(3R,5R)-1-tert-butyl-5-methylpyrrolidin-3-yl]oxy-dimethylsilane?
tert-butyl-[(3R,5R)-1-tert-butyl-5-methylpyrrolidin-3-yl]oxy-dimethylsilane has a molecular weight of 271.52 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R,5R)-1-tert-butyl-5-methylpyrrolidin-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 141203202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).