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

C24H35NO3Si — CID 11811732

IUPACtert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H35NO3Si/c1-23(2,3)28-22(26)25-18-13-19-27-29(24(4,5)6,20-14-9-7-10-15-20)21-16-11-8-12-17-21/h7-12,14-17H,13,18-19H2,1-6H3,(H,25,26)
InChIKeyZVFWZGQXDKLRGT-UHFFFAOYSA-N
MW413.63 g/mol
LogP4.48
Rot. Bonds7

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

tert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]carbamate (PubChem CID 11811732) has the molecular formula C24H35NO3Si and a molecular weight of 413.63 g/mol. Its IUPAC name is tert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]carbamate
PubChem CID11811732
Molecular FormulaC24H35NO3Si
Molecular Weight413.63 g/mol
Exact Mass413.24
IUPAC Nametert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H35NO3Si/c1-23(2,3)28-22(26)25-18-13-19-27-29(24(4,5)6,20-14-9-7-10-15-20)21-16-11-8-12-17-21/h7-12,14-17H,13,18-19H2,1-6H3,(H,25,26)
InChIKeyZVFWZGQXDKLRGT-UHFFFAOYSA-N
XLogP4.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.63
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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]carbamate?
The IUPAC name of tert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]carbamate (CID 11811732) is tert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]carbamate is CC(C)(C)OC(=O)NCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]carbamate?
The InChIKey is ZVFWZGQXDKLRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO3Si/c1-23(2,3)28-22(26)25-18-13-19-27-29(24(4,5)6,20-14-9-7-10-15-20)21-16-11-8-12-17-21/h7-12,14-17H,13,18-19H2,1-6H3,(H,25,26).
What are the key properties of tert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]carbamate?
tert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]carbamate has a molecular weight of 413.63 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]carbamate is sourced from PubChem (CID 11811732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).