tert-butyl N-[2-[tert-butyl(diphenyl)silyl]oxybut-3-enyl]-N-prop-2-ynylcarbamate

C28H37NO3Si — CID 135074712

IUPACtert-butyl N-[2-[tert-butyl(diphenyl)silyl]oxybut-3-enyl]-N-prop-2-ynylcarbamate
SMILESC#CCN(CC(C=C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C28H37NO3Si/c1-9-21-29(26(30)31-27(3,4)5)22-23(10-2)32-33(28(6,7)8,24-17-13-11-14-18-24)25-19-15-12-16-20-25/h1,10-20,23H,2,21-22H2,3-8H3
InChIKeyHHQZIWHAHSRUKE-UHFFFAOYSA-N
MW463.69 g/mol
LogP4.99
Rot. Bonds8

About tert-butyl N-[2-[tert-butyl(diphenyl)silyl]oxybut-3-enyl]-N-prop-2-ynylcarbamate

tert-butyl N-[2-[tert-butyl(diphenyl)silyl]oxybut-3-enyl]-N-prop-2-ynylcarbamate (PubChem CID 135074712) has the molecular formula C28H37NO3Si and a molecular weight of 463.69 g/mol. Its IUPAC name is tert-butyl N-[2-[tert-butyl(diphenyl)silyl]oxybut-3-enyl]-N-prop-2-ynylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[tert-butyl(diphenyl)silyl]oxybut-3-enyl]-N-prop-2-ynylcarbamate
PubChem CID135074712
Molecular FormulaC28H37NO3Si
Molecular Weight463.69 g/mol
Exact Mass463.25
IUPAC Nametert-butyl N-[2-[tert-butyl(diphenyl)silyl]oxybut-3-enyl]-N-prop-2-ynylcarbamate
SMILESC#CCN(CC(C=C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C28H37NO3Si/c1-9-21-29(26(30)31-27(3,4)5)22-23(10-2)32-33(28(6,7)8,24-17-13-11-14-18-24)25-19-15-12-16-20-25/h1,10-20,23H,2,21-22H2,3-8H3
InChIKeyHHQZIWHAHSRUKE-UHFFFAOYSA-N
XLogP4.99
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.69
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-Butyl (2R,4R)-4-((tert-butyldiphenylsilyl)oxy)-2-ethynylpyrrolidine-1-carboxylate
CID 91299586
tert-butyl (4R)-4-[2-[tert-butyl(diphenyl)silyl]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10837991
(S)-tert-butyl 2-((tert-butyldiphenylsilyloxy)methyl)-2,3-dihydro-1H-pyrrole-1-carboxylate
CID 13008516
tert-butyl 4-[(2R)-2-[tert-butyl(diphenyl)silyl]oxy-3-fluoropropyl]piperazine-1-carboxylate
CID 58080117
tert-butyl 4-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-3-fluoropropyl]piperazine-1-carboxylate
CID 58080217
Tert-butyl 4-[2-[tert-butyl(diphenyl)silyl]oxy-3-fluoropropyl]piperazine-1-carboxylate
CID 66723636
Butyl 4-[2-[tert-butyl(diphenyl)silyl]oxy-3-fluoropropyl]piperazine-1-carboxylate
CID 141325288
CID 144324183
CID 144324183
CID 144324241
CID 144324241
tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(fluoromethyl)pyrrolidine-1-carboxylate
CID 172577445
Tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,5-dihydropyrrole-1-carboxylate
CID 11270902
tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 25178002

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[tert-butyl(diphenyl)silyl]oxybut-3-enyl]-N-prop-2-ynylcarbamate?
The IUPAC name of tert-butyl N-[2-[tert-butyl(diphenyl)silyl]oxybut-3-enyl]-N-prop-2-ynylcarbamate (CID 135074712) is tert-butyl N-[2-[tert-butyl(diphenyl)silyl]oxybut-3-enyl]-N-prop-2-ynylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[tert-butyl(diphenyl)silyl]oxybut-3-enyl]-N-prop-2-ynylcarbamate?
The canonical SMILES for tert-butyl N-[2-[tert-butyl(diphenyl)silyl]oxybut-3-enyl]-N-prop-2-ynylcarbamate is C#CCN(CC(C=C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[tert-butyl(diphenyl)silyl]oxybut-3-enyl]-N-prop-2-ynylcarbamate?
The InChIKey is HHQZIWHAHSRUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37NO3Si/c1-9-21-29(26(30)31-27(3,4)5)22-23(10-2)32-33(28(6,7)8,24-17-13-11-14-18-24)25-19-15-12-16-20-25/h1,10-20,23H,2,21-22H2,3-8H3.
What are the key properties of tert-butyl N-[2-[tert-butyl(diphenyl)silyl]oxybut-3-enyl]-N-prop-2-ynylcarbamate?
tert-butyl N-[2-[tert-butyl(diphenyl)silyl]oxybut-3-enyl]-N-prop-2-ynylcarbamate has a molecular weight of 463.69 g/mol, XLogP of 4.99, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[tert-butyl(diphenyl)silyl]oxybut-3-enyl]-N-prop-2-ynylcarbamate is sourced from PubChem (CID 135074712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).