benzyl N-[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]carbamate

C29H37NO3Si — CID 15419395

IUPACbenzyl N-[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]carbamate
SMILESCC(C)C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OCc1ccccc1
InChIInChI=1S/C29H37NO3Si/c1-23(2)27(30-28(31)32-21-24-15-9-6-10-16-24)22-33-34(29(3,4)5,25-17-11-7-12-18-25)26-19-13-8-14-20-26/h6-20,23,27H,21-22H2,1-5H3,(H,30,31)
InChIKeyFGGJITJGLIZELZ-UHFFFAOYSA-N
MW475.71 g/mol
LogP5.51
Rot. Bonds9

About benzyl N-[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]carbamate

benzyl N-[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]carbamate (PubChem CID 15419395) has the molecular formula C29H37NO3Si and a molecular weight of 475.71 g/mol. Its IUPAC name is benzyl N-[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]carbamate
PubChem CID15419395
Molecular FormulaC29H37NO3Si
Molecular Weight475.71 g/mol
Exact Mass475.25
IUPAC Namebenzyl N-[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]carbamate
SMILESCC(C)C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OCc1ccccc1
InChIInChI=1S/C29H37NO3Si/c1-23(2)27(30-28(31)32-21-24-15-9-6-10-16-24)22-33-34(29(3,4)5,25-17-11-7-12-18-25)26-19-13-8-14-20-26/h6-20,23,27H,21-22H2,1-5H3,(H,30,31)
InChIKeyFGGJITJGLIZELZ-UHFFFAOYSA-N
XLogP5.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.71
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 benzyl N-[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]carbamate?
The IUPAC name of benzyl N-[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]carbamate (CID 15419395) is benzyl N-[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]carbamate?
The canonical SMILES for benzyl N-[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]carbamate is CC(C)C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]carbamate?
The InChIKey is FGGJITJGLIZELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37NO3Si/c1-23(2)27(30-28(31)32-21-24-15-9-6-10-16-24)22-33-34(29(3,4)5,25-17-11-7-12-18-25)26-19-13-8-14-20-26/h6-20,23,27H,21-22H2,1-5H3,(H,30,31).
What are the key properties of benzyl N-[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]carbamate?
benzyl N-[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]carbamate has a molecular weight of 475.71 g/mol, XLogP of 5.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]carbamate is sourced from PubChem (CID 15419395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).