tert-butyl-[(3S,5S)-1-tert-butyl-5-(2-methoxyethoxymethyl)pyrrolidin-3-yl]oxy-diphenylsilane

C28H43NO3Si — CID 67033581

IUPACtert-butyl-[(3S,5S)-1-tert-butyl-5-(2-methoxyethoxymethyl)pyrrolidin-3-yl]oxy-diphenylsilane
SMILESCOCCOC[C@@H]1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN1C(C)(C)C
InChIInChI=1S/C28H43NO3Si/c1-27(2,3)29-21-24(20-23(29)22-31-19-18-30-7)32-33(28(4,5)6,25-14-10-8-11-15-25)26-16-12-9-13-17-26/h8-17,23-24H,18-22H2,1-7H3/t23-,24-/m0/s1
InChIKeyHZHGTMIDCIBWNI-ZEQRLZLVSA-N
MW469.74 g/mol
LogP4.47
Rot. Bonds9

About tert-butyl-[(3S,5S)-1-tert-butyl-5-(2-methoxyethoxymethyl)pyrrolidin-3-yl]oxy-diphenylsilane

tert-butyl-[(3S,5S)-1-tert-butyl-5-(2-methoxyethoxymethyl)pyrrolidin-3-yl]oxy-diphenylsilane (PubChem CID 67033581) has the molecular formula C28H43NO3Si and a molecular weight of 469.74 g/mol. Its IUPAC name is tert-butyl-[(3S,5S)-1-tert-butyl-5-(2-methoxyethoxymethyl)pyrrolidin-3-yl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S,5S)-1-tert-butyl-5-(2-methoxyethoxymethyl)pyrrolidin-3-yl]oxy-diphenylsilane
PubChem CID67033581
Molecular FormulaC28H43NO3Si
Molecular Weight469.74 g/mol
Exact Mass469.30
IUPAC Nametert-butyl-[(3S,5S)-1-tert-butyl-5-(2-methoxyethoxymethyl)pyrrolidin-3-yl]oxy-diphenylsilane
SMILESCOCCOC[C@@H]1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN1C(C)(C)C
InChIInChI=1S/C28H43NO3Si/c1-27(2,3)29-21-24(20-23(29)22-31-19-18-30-7)32-33(28(4,5)6,25-14-10-8-11-15-25)26-16-12-9-13-17-26/h8-17,23-24H,18-22H2,1-7H3/t23-,24-/m0/s1
InChIKeyHZHGTMIDCIBWNI-ZEQRLZLVSA-N
XLogP4.47
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.74
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-1-methylpyrrolidin-2-yl]methanol
CID 11211674
tert-butyl-[(3R,4R)-4-[(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidin-1-yl]-4-methyloxolan-3-yl]oxy-diphenylsilane
CID 168180973
tert-butyl-[(3R,4R)-4-[(3R,4R)-3-fluoro-4-iodopiperidin-1-yl]-4-methyloxolan-3-yl]oxy-diphenylsilane
CID 172536646
tert-butyl-[[(2S)-1-[(E)-3-methylbut-1-enyl]pyrrolidin-2-yl]methoxy]-diphenylsilane
CID 102136465
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-(trimethylsilylmethyl)silane
CID 102352783
tert-butyl-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]oxy-diphenylsilane
CID 135009384
lithium [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-(trimethylsilylmethyl)silane
CID 166442347
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-[(R)-trimethylsilyl(trimethylstannyl)methyl]silane
CID 166442348
lithium;[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-(trimethylsilylmethyl)silane;oxolane
CID 166442349
Rjbiwsavzgaibv-yseonisgsa-
CID 50936682
tert-butyl-[(E)-6-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-5-methylhex-4-enoxy]-diphenylsilane
CID 101584149
tert-butyl-[(E)-6-[(2S,4R)-4-(methoxymethoxy)-2-(methoxymethoxymethyl)pyrrolidin-1-yl]-5-methylhex-4-enoxy]-diphenylsilane
CID 101584152

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S,5S)-1-tert-butyl-5-(2-methoxyethoxymethyl)pyrrolidin-3-yl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[(3S,5S)-1-tert-butyl-5-(2-methoxyethoxymethyl)pyrrolidin-3-yl]oxy-diphenylsilane (CID 67033581) is tert-butyl-[(3S,5S)-1-tert-butyl-5-(2-methoxyethoxymethyl)pyrrolidin-3-yl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[(3S,5S)-1-tert-butyl-5-(2-methoxyethoxymethyl)pyrrolidin-3-yl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[(3S,5S)-1-tert-butyl-5-(2-methoxyethoxymethyl)pyrrolidin-3-yl]oxy-diphenylsilane is COCCOC[C@@H]1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN1C(C)(C)C.
What is the InChIKey of tert-butyl-[(3S,5S)-1-tert-butyl-5-(2-methoxyethoxymethyl)pyrrolidin-3-yl]oxy-diphenylsilane?
The InChIKey is HZHGTMIDCIBWNI-ZEQRLZLVSA-N. The full InChI is InChI=1S/C28H43NO3Si/c1-27(2,3)29-21-24(20-23(29)22-31-19-18-30-7)32-33(28(4,5)6,25-14-10-8-11-15-25)26-16-12-9-13-17-26/h8-17,23-24H,18-22H2,1-7H3/t23-,24-/m0/s1.
What are the key properties of tert-butyl-[(3S,5S)-1-tert-butyl-5-(2-methoxyethoxymethyl)pyrrolidin-3-yl]oxy-diphenylsilane?
tert-butyl-[(3S,5S)-1-tert-butyl-5-(2-methoxyethoxymethyl)pyrrolidin-3-yl]oxy-diphenylsilane has a molecular weight of 469.74 g/mol, XLogP of 4.47, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S,5S)-1-tert-butyl-5-(2-methoxyethoxymethyl)pyrrolidin-3-yl]oxy-diphenylsilane is sourced from PubChem (CID 67033581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).