tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(5-hydroxypent-1-en-3-yl)pyrrolidine-1-carboxylate

C20H39NO4Si — CID 57230444

IUPACtert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(5-hydroxypent-1-en-3-yl)pyrrolidine-1-carboxylate
SMILESC=CC(CCO)C1CC(O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C20H39NO4Si/c1-10-15(11-12-22)17-13-16(25-26(8,9)20(5,6)7)14-21(17)18(23)24-19(2,3)4/h10,15-17,22H,1,11-14H2,2-9H3
InChIKeyQUVXPBZMOIMIHB-UHFFFAOYSA-N
MW385.62 g/mol
LogP4.57
Rot. Bonds6

About tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(5-hydroxypent-1-en-3-yl)pyrrolidine-1-carboxylate

tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(5-hydroxypent-1-en-3-yl)pyrrolidine-1-carboxylate (PubChem CID 57230444) has the molecular formula C20H39NO4Si and a molecular weight of 385.62 g/mol. Its IUPAC name is tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(5-hydroxypent-1-en-3-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(5-hydroxypent-1-en-3-yl)pyrrolidine-1-carboxylate
PubChem CID57230444
Molecular FormulaC20H39NO4Si
Molecular Weight385.62 g/mol
Exact Mass385.26
IUPAC Nametert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(5-hydroxypent-1-en-3-yl)pyrrolidine-1-carboxylate
SMILESC=CC(CCO)C1CC(O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C20H39NO4Si/c1-10-15(11-12-22)17-13-16(25-26(8,9)20(5,6)7)14-21(17)18(23)24-19(2,3)4/h10,15-17,22H,1,11-14H2,2-9H3
InChIKeyQUVXPBZMOIMIHB-UHFFFAOYSA-N
XLogP4.57
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.62
LogP ≤ 54.57
H-Bond Donors ≤ 51
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 4-[tert-butyl(dimethyl)silyl]oxy-2-(5-hydroxypent-1-en-3-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(5-hydroxypent-1-en-3-yl)pyrrolidine-1-carboxylate (CID 57230444) is tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(5-hydroxypent-1-en-3-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(5-hydroxypent-1-en-3-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(5-hydroxypent-1-en-3-yl)pyrrolidine-1-carboxylate is C=CC(CCO)C1CC(O[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(5-hydroxypent-1-en-3-yl)pyrrolidine-1-carboxylate?
The InChIKey is QUVXPBZMOIMIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO4Si/c1-10-15(11-12-22)17-13-16(25-26(8,9)20(5,6)7)14-21(17)18(23)24-19(2,3)4/h10,15-17,22H,1,11-14H2,2-9H3.
What are the key properties of tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(5-hydroxypent-1-en-3-yl)pyrrolidine-1-carboxylate?
tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(5-hydroxypent-1-en-3-yl)pyrrolidine-1-carboxylate has a molecular weight of 385.62 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(5-hydroxypent-1-en-3-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 57230444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).