tert-butyl N-[4-(1-trimethylsilyloxycyclopropyl)phenyl]carbamate

C17H27NO3Si — CID 169322786

IUPACtert-butyl N-[4-(1-trimethylsilyloxycyclopropyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C2(O[Si](C)(C)C)CC2)cc1
InChIInChI=1S/C17H27NO3Si/c1-16(2,3)20-15(19)18-14-9-7-13(8-10-14)17(11-12-17)21-22(4,5)6/h7-10H,11-12H2,1-6H3,(H,18,19)
InChIKeyGMVVMIOSWGURSP-UHFFFAOYSA-N
MW321.49 g/mol
LogP4.87
Rot. Bonds4

About tert-butyl N-[4-(1-trimethylsilyloxycyclopropyl)phenyl]carbamate

tert-butyl N-[4-(1-trimethylsilyloxycyclopropyl)phenyl]carbamate (PubChem CID 169322786) has the molecular formula C17H27NO3Si and a molecular weight of 321.49 g/mol. Its IUPAC name is tert-butyl N-[4-(1-trimethylsilyloxycyclopropyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(1-trimethylsilyloxycyclopropyl)phenyl]carbamate
PubChem CID169322786
Molecular FormulaC17H27NO3Si
Molecular Weight321.49 g/mol
Exact Mass321.18
IUPAC Nametert-butyl N-[4-(1-trimethylsilyloxycyclopropyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C2(O[Si](C)(C)C)CC2)cc1
InChIInChI=1S/C17H27NO3Si/c1-16(2,3)20-15(19)18-14-9-7-13(8-10-14)17(11-12-17)21-22(4,5)6/h7-10H,11-12H2,1-6H3,(H,18,19)
InChIKeyGMVVMIOSWGURSP-UHFFFAOYSA-N
XLogP4.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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-[4-(1-trimethylsilyloxycyclopropyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-(1-trimethylsilyloxycyclopropyl)phenyl]carbamate (CID 169322786) is tert-butyl N-[4-(1-trimethylsilyloxycyclopropyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(1-trimethylsilyloxycyclopropyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(1-trimethylsilyloxycyclopropyl)phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(C2(O[Si](C)(C)C)CC2)cc1.
What is the InChIKey of tert-butyl N-[4-(1-trimethylsilyloxycyclopropyl)phenyl]carbamate?
The InChIKey is GMVVMIOSWGURSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3Si/c1-16(2,3)20-15(19)18-14-9-7-13(8-10-14)17(11-12-17)21-22(4,5)6/h7-10H,11-12H2,1-6H3,(H,18,19).
What are the key properties of tert-butyl N-[4-(1-trimethylsilyloxycyclopropyl)phenyl]carbamate?
tert-butyl N-[4-(1-trimethylsilyloxycyclopropyl)phenyl]carbamate has a molecular weight of 321.49 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(1-trimethylsilyloxycyclopropyl)phenyl]carbamate is sourced from PubChem (CID 169322786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).