tert-butyl N-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-enyl]carbamate

C25H34FNO3Si — CID 59029502

IUPACtert-butyl N-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NC/C(F)=C\CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H34FNO3Si/c1-24(2,3)30-23(28)27-19-20(26)17-18-29-31(25(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-17H,18-19H2,1-6H3,(H,27,28)/b20-17+
InChIKeyWEQUTWCYMWTJAT-LVZFUZTISA-N
MW443.64 g/mol
LogP4.94
Rot. Bonds7

About tert-butyl N-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-enyl]carbamate

tert-butyl N-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-enyl]carbamate (PubChem CID 59029502) has the molecular formula C25H34FNO3Si and a molecular weight of 443.64 g/mol. Its IUPAC name is tert-butyl N-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-enyl]carbamate
PubChem CID59029502
Molecular FormulaC25H34FNO3Si
Molecular Weight443.64 g/mol
Exact Mass443.23
IUPAC Nametert-butyl N-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NC/C(F)=C\CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H34FNO3Si/c1-24(2,3)30-23(28)27-19-20(26)17-18-29-31(25(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-17H,18-19H2,1-6H3,(H,27,28)/b20-17+
InChIKeyWEQUTWCYMWTJAT-LVZFUZTISA-N
XLogP4.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.64
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-enyl]carbamate (CID 59029502) is tert-butyl N-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-enyl]carbamate is CC(C)(C)OC(=O)NC/C(F)=C\CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-enyl]carbamate?
The InChIKey is WEQUTWCYMWTJAT-LVZFUZTISA-N. The full InChI is InChI=1S/C25H34FNO3Si/c1-24(2,3)30-23(28)27-19-20(26)17-18-29-31(25(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-17H,18-19H2,1-6H3,(H,27,28)/b20-17+.
What are the key properties of tert-butyl N-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-enyl]carbamate?
tert-butyl N-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-enyl]carbamate has a molecular weight of 443.64 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-enyl]carbamate is sourced from PubChem (CID 59029502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).