tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxybutan-2-yl]carbamate

C25H37NO4Si — CID 69358153

IUPACtert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxybutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CCO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H37NO4Si/c1-24(2,3)30-23(28)26-20(17-18-27)19-29-31(25(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,27H,17-19H2,1-6H3,(H,26,28)/t20-/m0/s1
InChIKeyQTPZPOYJSDYUGB-FQEVSTJZSA-N
MW443.66 g/mol
LogP3.84
Rot. Bonds8

About tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxybutan-2-yl]carbamate

tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxybutan-2-yl]carbamate (PubChem CID 69358153) has the molecular formula C25H37NO4Si and a molecular weight of 443.66 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxybutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxybutan-2-yl]carbamate
PubChem CID69358153
Molecular FormulaC25H37NO4Si
Molecular Weight443.66 g/mol
Exact Mass443.25
IUPAC Nametert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxybutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CCO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H37NO4Si/c1-24(2,3)30-23(28)26-20(17-18-27)19-29-31(25(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,27H,17-19H2,1-6H3,(H,26,28)/t20-/m0/s1
InChIKeyQTPZPOYJSDYUGB-FQEVSTJZSA-N
XLogP3.84
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.66
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxybutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxybutan-2-yl]carbamate (CID 69358153) is tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxybutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxybutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxybutan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@H](CCO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxybutan-2-yl]carbamate?
The InChIKey is QTPZPOYJSDYUGB-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H37NO4Si/c1-24(2,3)30-23(28)26-20(17-18-27)19-29-31(25(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,27H,17-19H2,1-6H3,(H,26,28)/t20-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxybutan-2-yl]carbamate?
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxybutan-2-yl]carbamate has a molecular weight of 443.66 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-hydroxybutan-2-yl]carbamate is sourced from PubChem (CID 69358153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).