tert-butyl N-(1-triphenylsilylbut-3-enyl)carbamate

C27H31NO2Si — CID 134905481

IUPACtert-butyl N-(1-triphenylsilylbut-3-enyl)carbamate
SMILESC=CCC(NC(=O)OC(C)(C)C)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H31NO2Si/c1-5-15-25(28-26(29)30-27(2,3)4)31(22-16-9-6-10-17-22,23-18-11-7-12-19-23)24-20-13-8-14-21-24/h5-14,16-21,25H,1,15H2,2-4H3,(H,28,29)
InChIKeyZGHLOAANXOWRRT-UHFFFAOYSA-N
MW429.64 g/mol
LogP4.17
Rot. Bonds7

About tert-butyl N-(1-triphenylsilylbut-3-enyl)carbamate

tert-butyl N-(1-triphenylsilylbut-3-enyl)carbamate (PubChem CID 134905481) has the molecular formula C27H31NO2Si and a molecular weight of 429.64 g/mol. Its IUPAC name is tert-butyl N-(1-triphenylsilylbut-3-enyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-triphenylsilylbut-3-enyl)carbamate
PubChem CID134905481
Molecular FormulaC27H31NO2Si
Molecular Weight429.64 g/mol
Exact Mass429.21
IUPAC Nametert-butyl N-(1-triphenylsilylbut-3-enyl)carbamate
SMILESC=CCC(NC(=O)OC(C)(C)C)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H31NO2Si/c1-5-15-25(28-26(29)30-27(2,3)4)31(22-16-9-6-10-17-22,23-18-11-7-12-19-23)24-20-13-8-14-21-24/h5-14,16-21,25H,1,15H2,2-4H3,(H,28,29)
InChIKeyZGHLOAANXOWRRT-UHFFFAOYSA-N
XLogP4.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.64
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate
CID 162415527
tert-butyl N-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropyl]carbamate
CID 140870521
tert-butyl N-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-fluorobutan-2-yl]carbamate
CID 172759932
tert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropyl]carbamate
CID 175247666
tert-butyl N-[(1S)-1-triphenylsilylprop-2-enyl]carbamate
CID 11373383
tert-butyl N-[4-[dimethyl(phenyl)silyl]buta-2,3-dienyl]carbamate
CID 11381145
tert-butyl N-prop-2-enyl-N-triphenylsilylcarbamate
CID 11418592
tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate
CID 11618502
tert-butyl N-[[methyl(diphenyl)silyl]-phenylmethyl]carbamate
CID 15313504
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-triphenylsilylpropanoate
CID 15391418
tert-butyl N-[methyl(diphenyl)silyl]-N-prop-2-enylcarbamate
CID 101251332
tert-butyl N-[(1S)-1-[methyl(diphenyl)silyl]prop-2-enyl]carbamate
CID 101251333

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-triphenylsilylbut-3-enyl)carbamate?
The IUPAC name of tert-butyl N-(1-triphenylsilylbut-3-enyl)carbamate (CID 134905481) is tert-butyl N-(1-triphenylsilylbut-3-enyl)carbamate.
What is the SMILES notation for tert-butyl N-(1-triphenylsilylbut-3-enyl)carbamate?
The canonical SMILES for tert-butyl N-(1-triphenylsilylbut-3-enyl)carbamate is C=CCC(NC(=O)OC(C)(C)C)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl N-(1-triphenylsilylbut-3-enyl)carbamate?
The InChIKey is ZGHLOAANXOWRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO2Si/c1-5-15-25(28-26(29)30-27(2,3)4)31(22-16-9-6-10-17-22,23-18-11-7-12-19-23)24-20-13-8-14-21-24/h5-14,16-21,25H,1,15H2,2-4H3,(H,28,29).
What are the key properties of tert-butyl N-(1-triphenylsilylbut-3-enyl)carbamate?
tert-butyl N-(1-triphenylsilylbut-3-enyl)carbamate has a molecular weight of 429.64 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-triphenylsilylbut-3-enyl)carbamate is sourced from PubChem (CID 134905481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).