tert-butyl (2R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-2,5-dihydropyrrole-1-carboxylate

C26H35NO3Si — CID 70650157

IUPACtert-butyl (2R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-2,5-dihydropyrrole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C[C@H]1CCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H35NO3Si/c1-25(2,3)30-24(28)27-20-12-13-21(27)18-19-26(4,5)31(29,22-14-8-6-9-15-22)23-16-10-7-11-17-23/h6-17,21,29H,18-20H2,1-5H3/t21-/m0/s1
InChIKeyBZPQRBQTNNDNHW-NRFANRHFSA-N
MW437.66 g/mol
LogP4.47
Rot. Bonds6

About tert-butyl (2R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-2,5-dihydropyrrole-1-carboxylate

tert-butyl (2R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-2,5-dihydropyrrole-1-carboxylate (PubChem CID 70650157) has the molecular formula C26H35NO3Si and a molecular weight of 437.66 g/mol. Its IUPAC name is tert-butyl (2R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-2,5-dihydropyrrole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-2,5-dihydropyrrole-1-carboxylate
PubChem CID70650157
Molecular FormulaC26H35NO3Si
Molecular Weight437.66 g/mol
Exact Mass437.24
IUPAC Nametert-butyl (2R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-2,5-dihydropyrrole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C[C@H]1CCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H35NO3Si/c1-25(2,3)30-24(28)27-20-12-13-21(27)18-19-26(4,5)31(29,22-14-8-6-9-15-22)23-16-10-7-11-17-23/h6-17,21,29H,18-20H2,1-5H3/t21-/m0/s1
InChIKeyBZPQRBQTNNDNHW-NRFANRHFSA-N
XLogP4.47
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.66
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-2,5-dihydropyrrole-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-2,5-dihydropyrrole-1-carboxylate (CID 70650157) is tert-butyl (2R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-2,5-dihydropyrrole-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-2,5-dihydropyrrole-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-2,5-dihydropyrrole-1-carboxylate is CC(C)(C)OC(=O)N1CC=C[C@H]1CCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl (2R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-2,5-dihydropyrrole-1-carboxylate?
The InChIKey is BZPQRBQTNNDNHW-NRFANRHFSA-N. The full InChI is InChI=1S/C26H35NO3Si/c1-25(2,3)30-24(28)27-20-12-13-21(27)18-19-26(4,5)31(29,22-14-8-6-9-15-22)23-16-10-7-11-17-23/h6-17,21,29H,18-20H2,1-5H3/t21-/m0/s1.
What are the key properties of tert-butyl (2R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-2,5-dihydropyrrole-1-carboxylate?
tert-butyl (2R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-2,5-dihydropyrrole-1-carboxylate has a molecular weight of 437.66 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-2,5-dihydropyrrole-1-carboxylate is sourced from PubChem (CID 70650157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).