tert-butyl (2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-prop-2-enylpyrrolidine-1-carboxylate

C24H49NO4Si2 — CID 135017299

IUPACtert-butyl (2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-prop-2-enylpyrrolidine-1-carboxylate
SMILESC=CC[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C24H49NO4Si2/c1-15-16-18-20(29-31(13,14)24(8,9)10)19(28-30(11,12)23(5,6)7)17-25(18)21(26)27-22(2,3)4/h15,18-20H,1,16-17H2,2-14H3/t18-,19-,20+/m1/s1
InChIKeyUHIGDRUTVOMMKC-AQNXPRMDSA-N
MW471.83 g/mol
LogP6.96
Rot. Bonds6

About tert-butyl (2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-prop-2-enylpyrrolidine-1-carboxylate

tert-butyl (2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-prop-2-enylpyrrolidine-1-carboxylate (PubChem CID 135017299) has the molecular formula C24H49NO4Si2 and a molecular weight of 471.83 g/mol. Its IUPAC name is tert-butyl (2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-prop-2-enylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-prop-2-enylpyrrolidine-1-carboxylate
PubChem CID135017299
Molecular FormulaC24H49NO4Si2
Molecular Weight471.83 g/mol
Exact Mass471.32
IUPAC Nametert-butyl (2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-prop-2-enylpyrrolidine-1-carboxylate
SMILESC=CC[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C24H49NO4Si2/c1-15-16-18-20(29-31(13,14)24(8,9)10)19(28-30(11,12)23(5,6)7)17-25(18)21(26)27-22(2,3)4/h15,18-20H,1,16-17H2,2-14H3/t18-,19-,20+/m1/s1
InChIKeyUHIGDRUTVOMMKC-AQNXPRMDSA-N
XLogP6.96
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.83
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-prop-2-enylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-prop-2-enylpyrrolidine-1-carboxylate (CID 135017299) is tert-butyl (2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-prop-2-enylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-prop-2-enylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-prop-2-enylpyrrolidine-1-carboxylate is C=CC[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-prop-2-enylpyrrolidine-1-carboxylate?
The InChIKey is UHIGDRUTVOMMKC-AQNXPRMDSA-N. The full InChI is InChI=1S/C24H49NO4Si2/c1-15-16-18-20(29-31(13,14)24(8,9)10)19(28-30(11,12)23(5,6)7)17-25(18)21(26)27-22(2,3)4/h15,18-20H,1,16-17H2,2-14H3/t18-,19-,20+/m1/s1.
What are the key properties of tert-butyl (2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-prop-2-enylpyrrolidine-1-carboxylate?
tert-butyl (2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-prop-2-enylpyrrolidine-1-carboxylate has a molecular weight of 471.83 g/mol, XLogP of 6.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-prop-2-enylpyrrolidine-1-carboxylate is sourced from PubChem (CID 135017299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).