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

C25H35NO4Si — CID 166473366

IUPACtert-butyl N-[1-[tert-butyl(diphenyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate
SMILESCC(C=O)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C25H35NO4Si/c1-23(2,3)30-22(28)26-25(7,18-27)19-29-31(24(4,5)6,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-18H,19H2,1-7H3,(H,26,28)
InChIKeyBUKDSQKCXJCGPC-UHFFFAOYSA-N
MW441.64 g/mol
LogP4.05
Rot. Bonds7

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

tert-butyl N-[1-[tert-butyl(diphenyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate (PubChem CID 166473366) has the molecular formula C25H35NO4Si and a molecular weight of 441.64 g/mol. Its IUPAC name is tert-butyl N-[1-[tert-butyl(diphenyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[tert-butyl(diphenyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate
PubChem CID166473366
Molecular FormulaC25H35NO4Si
Molecular Weight441.64 g/mol
Exact Mass441.23
IUPAC Nametert-butyl N-[1-[tert-butyl(diphenyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate
SMILESCC(C=O)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C25H35NO4Si/c1-23(2,3)30-22(28)26-25(7,18-27)19-29-31(24(4,5)6,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-18H,19H2,1-7H3,(H,26,28)
InChIKeyBUKDSQKCXJCGPC-UHFFFAOYSA-N
XLogP4.05
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.64
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[tert-butyl(diphenyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[tert-butyl(diphenyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate (CID 166473366) is tert-butyl N-[1-[tert-butyl(diphenyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[tert-butyl(diphenyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[tert-butyl(diphenyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate is CC(C=O)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[tert-butyl(diphenyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate?
The InChIKey is BUKDSQKCXJCGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO4Si/c1-23(2,3)30-22(28)26-25(7,18-27)19-29-31(24(4,5)6,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-18H,19H2,1-7H3,(H,26,28).
What are the key properties of tert-butyl N-[1-[tert-butyl(diphenyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate?
tert-butyl N-[1-[tert-butyl(diphenyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate has a molecular weight of 441.64 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[tert-butyl(diphenyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate is sourced from PubChem (CID 166473366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).