tert-butyl N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-fluorophenyl]methyl]carbamate

C18H30FNO3Si — CID 156705200

IUPACtert-butyl N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-fluorophenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(F)c(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C18H30FNO3Si/c1-17(2,3)22-16(21)20-12-13-9-10-14(19)15(11-13)23-24(7,8)18(4,5)6/h9-11H,12H2,1-8H3,(H,20,21)
InChIKeyPXRVWDVVXLKEJO-UHFFFAOYSA-N
MW355.53 g/mol
LogP5.23
Rot. Bonds4

About tert-butyl N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-fluorophenyl]methyl]carbamate

tert-butyl N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-fluorophenyl]methyl]carbamate (PubChem CID 156705200) has the molecular formula C18H30FNO3Si and a molecular weight of 355.53 g/mol. Its IUPAC name is tert-butyl N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-fluorophenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-fluorophenyl]methyl]carbamate
PubChem CID156705200
Molecular FormulaC18H30FNO3Si
Molecular Weight355.53 g/mol
Exact Mass355.20
IUPAC Nametert-butyl N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-fluorophenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(F)c(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C18H30FNO3Si/c1-17(2,3)22-16(21)20-12-13-9-10-14(19)15(11-13)23-24(7,8)18(4,5)6/h9-11H,12H2,1-8H3,(H,20,21)
InChIKeyPXRVWDVVXLKEJO-UHFFFAOYSA-N
XLogP5.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.53
LogP ≤ 55.23
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-[[3-[tert-butyl(dimethyl)silyl]oxy-4-fluorophenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-fluorophenyl]methyl]carbamate (CID 156705200) is tert-butyl N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-fluorophenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-fluorophenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-fluorophenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(F)c(O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-fluorophenyl]methyl]carbamate?
The InChIKey is PXRVWDVVXLKEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FNO3Si/c1-17(2,3)22-16(21)20-12-13-9-10-14(19)15(11-13)23-24(7,8)18(4,5)6/h9-11H,12H2,1-8H3,(H,20,21).
What are the key properties of tert-butyl N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-fluorophenyl]methyl]carbamate?
tert-butyl N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-fluorophenyl]methyl]carbamate has a molecular weight of 355.53 g/mol, XLogP of 5.23, 4 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(dimethyl)silyl]oxy-4-fluorophenyl]methyl]carbamate is sourced from PubChem (CID 156705200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).