tert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-N-(4-oxobutyl)carbamate

C28H41NO4Si — CID 57327215

IUPACtert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-N-(4-oxobutyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCCC=O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H41NO4Si/c1-27(2,3)33-26(31)29(20-13-14-22-30)21-15-23-32-34(28(4,5)6,24-16-9-7-10-17-24)25-18-11-8-12-19-25/h7-12,16-19,22H,13-15,20-21,23H2,1-6H3
InChIKeyUZLWIETUZWJSSR-UHFFFAOYSA-N
MW483.73 g/mol
LogP5.17
Rot. Bonds11

About tert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-N-(4-oxobutyl)carbamate

tert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-N-(4-oxobutyl)carbamate (PubChem CID 57327215) has the molecular formula C28H41NO4Si and a molecular weight of 483.73 g/mol. Its IUPAC name is tert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-N-(4-oxobutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-N-(4-oxobutyl)carbamate
PubChem CID57327215
Molecular FormulaC28H41NO4Si
Molecular Weight483.73 g/mol
Exact Mass483.28
IUPAC Nametert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-N-(4-oxobutyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCCC=O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H41NO4Si/c1-27(2,3)33-26(31)29(20-13-14-22-30)21-15-23-32-34(28(4,5)6,24-16-9-7-10-17-24)25-18-11-8-12-19-25/h7-12,16-19,22H,13-15,20-21,23H2,1-6H3
InChIKeyUZLWIETUZWJSSR-UHFFFAOYSA-N
XLogP5.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.73
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-N-(4-oxobutyl)carbamate?
The IUPAC name of tert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-N-(4-oxobutyl)carbamate (CID 57327215) is tert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-N-(4-oxobutyl)carbamate.
What is the SMILES notation for tert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-N-(4-oxobutyl)carbamate?
The canonical SMILES for tert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-N-(4-oxobutyl)carbamate is CC(C)(C)OC(=O)N(CCCC=O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-N-(4-oxobutyl)carbamate?
The InChIKey is UZLWIETUZWJSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41NO4Si/c1-27(2,3)33-26(31)29(20-13-14-22-30)21-15-23-32-34(28(4,5)6,24-16-9-7-10-17-24)25-18-11-8-12-19-25/h7-12,16-19,22H,13-15,20-21,23H2,1-6H3.
What are the key properties of tert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-N-(4-oxobutyl)carbamate?
tert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-N-(4-oxobutyl)carbamate has a molecular weight of 483.73 g/mol, XLogP of 5.17, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-N-(4-oxobutyl)carbamate is sourced from PubChem (CID 57327215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).