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

C25H34FNO3Si — CID 66982746

IUPACtert-butyl N-[(Z)-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-JZJYNLBNSA-N
MW443.64 g/mol
LogP4.94
Rot. Bonds7

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

tert-butyl N-[(Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-enyl]carbamate (PubChem CID 66982746) has the molecular formula C25H34FNO3Si and a molecular weight of 443.64 g/mol. Its IUPAC name is tert-butyl N-[(Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-enyl]carbamate
PubChem CID66982746
Molecular FormulaC25H34FNO3Si
Molecular Weight443.64 g/mol
Exact Mass443.23
IUPAC Nametert-butyl N-[(Z)-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-JZJYNLBNSA-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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Related Compounds

4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-en-1-ol
CID 66982894
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl 2-bromo-4-[tert-butyl(diphenyl)silyl]oxybut-2-enoate
CID 72527262
tert-butyl N-[(Z)-2-fluoro-4-pyridin-3-yloxybut-2-enyl]carbamate
CID 66982920
tert-butyl N-[1-[tert-butyl(diphenyl)silyl]oxy-3-oxopropan-2-yl]carbamate
CID 23240415
tert-butyl N-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-fluorobutan-2-yl]carbamate
CID 172759932
ethyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 175198201
[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate
CID 10506331
2-[2-(4-aminophenyl)ethenyl]-4-[tert-butyl(diphenyl)silyl]oxybut-2-enoic acid
CID 123782818
ethyl (2E,4E)-6-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-4-methylhexa-2,4-dienoate
CID 10741121
(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-formylbut-2-enenitrile
CID 134889501
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-ene-1-sulfonate
CID 23240416

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[(Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-enyl]carbamate (CID 66982746) is tert-butyl N-[(Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-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-[(Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-enyl]carbamate?
The InChIKey is WEQUTWCYMWTJAT-JZJYNLBNSA-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-[(Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-enyl]carbamate?
tert-butyl N-[(Z)-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-[(Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-enyl]carbamate is sourced from PubChem (CID 66982746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).