tert-butyl N-benzoyl-N-[tert-butyl(dimethyl)silyl]oxycarbamate

C18H29NO4Si — CID 11110923

IUPACtert-butyl N-benzoyl-N-[tert-butyl(dimethyl)silyl]oxycarbamate
SMILESCC(C)(C)OC(=O)N(O[Si](C)(C)C(C)(C)C)C(=O)c1ccccc1
InChIInChI=1S/C18H29NO4Si/c1-17(2,3)22-16(21)19(23-24(7,8)18(4,5)6)15(20)14-12-10-9-11-13-14/h9-13H,1-8H3
InChIKeyWMIYGXGMWLCSGT-UHFFFAOYSA-N
MW351.52 g/mol
LogP5.00
Rot. Bonds3

About tert-butyl N-benzoyl-N-[tert-butyl(dimethyl)silyl]oxycarbamate

tert-butyl N-benzoyl-N-[tert-butyl(dimethyl)silyl]oxycarbamate (PubChem CID 11110923) has the molecular formula C18H29NO4Si and a molecular weight of 351.52 g/mol. Its IUPAC name is tert-butyl N-benzoyl-N-[tert-butyl(dimethyl)silyl]oxycarbamate.

Molecular Properties

Compound Nametert-butyl N-benzoyl-N-[tert-butyl(dimethyl)silyl]oxycarbamate
PubChem CID11110923
Molecular FormulaC18H29NO4Si
Molecular Weight351.52 g/mol
Exact Mass351.19
IUPAC Nametert-butyl N-benzoyl-N-[tert-butyl(dimethyl)silyl]oxycarbamate
SMILESCC(C)(C)OC(=O)N(O[Si](C)(C)C(C)(C)C)C(=O)c1ccccc1
InChIInChI=1S/C18H29NO4Si/c1-17(2,3)22-16(21)19(23-24(7,8)18(4,5)6)15(20)14-12-10-9-11-13-14/h9-13H,1-8H3
InChIKeyWMIYGXGMWLCSGT-UHFFFAOYSA-N
XLogP5.00
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.52
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzoyl-N-[tert-butyl(dimethyl)silyl]oxycarbamate?
The IUPAC name of tert-butyl N-benzoyl-N-[tert-butyl(dimethyl)silyl]oxycarbamate (CID 11110923) is tert-butyl N-benzoyl-N-[tert-butyl(dimethyl)silyl]oxycarbamate.
What is the SMILES notation for tert-butyl N-benzoyl-N-[tert-butyl(dimethyl)silyl]oxycarbamate?
The canonical SMILES for tert-butyl N-benzoyl-N-[tert-butyl(dimethyl)silyl]oxycarbamate is CC(C)(C)OC(=O)N(O[Si](C)(C)C(C)(C)C)C(=O)c1ccccc1.
What is the InChIKey of tert-butyl N-benzoyl-N-[tert-butyl(dimethyl)silyl]oxycarbamate?
The InChIKey is WMIYGXGMWLCSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO4Si/c1-17(2,3)22-16(21)19(23-24(7,8)18(4,5)6)15(20)14-12-10-9-11-13-14/h9-13H,1-8H3.
What are the key properties of tert-butyl N-benzoyl-N-[tert-butyl(dimethyl)silyl]oxycarbamate?
tert-butyl N-benzoyl-N-[tert-butyl(dimethyl)silyl]oxycarbamate has a molecular weight of 351.52 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzoyl-N-[tert-butyl(dimethyl)silyl]oxycarbamate is sourced from PubChem (CID 11110923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).