tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]carbamate

C25H37NO3Si — CID 138983254

IUPACtert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H37NO3Si/c1-24(2,3)29-23(27)26-19-13-14-20-28-30(25(4,5)6,21-15-9-7-10-16-21)22-17-11-8-12-18-22/h7-12,15-18H,13-14,19-20H2,1-6H3,(H,26,27)
InChIKeyBILJXKRTQYKAJU-UHFFFAOYSA-N
MW427.66 g/mol
LogP4.87
Rot. Bonds8

About tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]carbamate

tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]carbamate (PubChem CID 138983254) has the molecular formula C25H37NO3Si and a molecular weight of 427.66 g/mol. Its IUPAC name is tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]carbamate
PubChem CID138983254
Molecular FormulaC25H37NO3Si
Molecular Weight427.66 g/mol
Exact Mass427.25
IUPAC Nametert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H37NO3Si/c1-24(2,3)29-23(27)26-19-13-14-20-28-30(25(4,5)6,21-15-9-7-10-16-21)22-17-11-8-12-18-22/h7-12,15-18H,13-14,19-20H2,1-6H3,(H,26,27)
InChIKeyBILJXKRTQYKAJU-UHFFFAOYSA-N
XLogP4.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.66
LogP ≤ 54.87
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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Related Compounds

[2-[tert-butyl(diphenyl)silyl]oxy-2-methoxyethyl] N-octylcarbamate
CID 71458951
tert-butyl (R)-(1-((tert-butyldiphenylsilyl)oxy)-3-hydroxypropan-2-yl)carbamate
CID 10960965
tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(fluoromethyl)pentan-2-yl]carbamate
CID 12111289
tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-4-fluoro-3-methylbutan-2-yl]carbamate
CID 12111347
tert-butyl N-[(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypent-4-en-2-yl]carbamate
CID 44220524
(S,E)-tert-Butyl 8-(tert-butyldiphenylsilyloxy)-2-methyloct-5-en-4-ylcarbamate
CID 58345823
methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 59316108
(S)-tert-butyl(1-((tert-butyldiphenylsilyl)oxy)-4-hydroxybutan-2-yl)carbamate
CID 69358153
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-iodobutan-2-yl]carbamate
CID 69359165
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate
CID 162415527
(E)-N-t-Butoxycarbonyl-4-(tert-butyldiphenylsilanyloxy)-2-fluoro-2-butenylamine
CID 59029502
tert-butyl N-[(Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-enyl]carbamate
CID 66982746

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]carbamate?
The IUPAC name of tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]carbamate (CID 138983254) is tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]carbamate is CC(C)(C)OC(=O)NCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]carbamate?
The InChIKey is BILJXKRTQYKAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37NO3Si/c1-24(2,3)29-23(27)26-19-13-14-20-28-30(25(4,5)6,21-15-9-7-10-16-21)22-17-11-8-12-18-22/h7-12,15-18H,13-14,19-20H2,1-6H3,(H,26,27).
What are the key properties of tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]carbamate?
tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]carbamate has a molecular weight of 427.66 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxybutyl]carbamate is sourced from PubChem (CID 138983254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).