tert-butyl N-[1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-N-formylcarbamate

C26H35NO4Si — CID 75233329

IUPACtert-butyl N-[1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-N-formylcarbamate
SMILESC=CC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N(C=O)C(=O)OC(C)(C)C
InChIInChI=1S/C26H35NO4Si/c1-8-21(27(20-28)24(29)31-25(2,3)4)19-30-32(26(5,6)7,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h8-18,20-21H,1,19H2,2-7H3
InChIKeyMZVLTQGXYRTSFH-UHFFFAOYSA-N
MW453.66 g/mol
LogP4.51
Rot. Bonds8

About tert-butyl N-[1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-N-formylcarbamate

tert-butyl N-[1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-N-formylcarbamate (PubChem CID 75233329) has the molecular formula C26H35NO4Si and a molecular weight of 453.66 g/mol. Its IUPAC name is tert-butyl N-[1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-N-formylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-N-formylcarbamate
PubChem CID75233329
Molecular FormulaC26H35NO4Si
Molecular Weight453.66 g/mol
Exact Mass453.23
IUPAC Nametert-butyl N-[1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-N-formylcarbamate
SMILESC=CC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N(C=O)C(=O)OC(C)(C)C
InChIInChI=1S/C26H35NO4Si/c1-8-21(27(20-28)24(29)31-25(2,3)4)19-30-32(26(5,6)7,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h8-18,20-21H,1,19H2,2-7H3
InChIKeyMZVLTQGXYRTSFH-UHFFFAOYSA-N
XLogP4.51
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.66
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(S)-tert-butyl 2-((tert-butyldiphenylsilyloxy)methyl)-5-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate
CID 10906494
tert-butyl (4R)-4-[(E)-2-[tert-butyl(diphenyl)silyl]ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10742825
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 N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate
CID 162415527
tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(trifluoromethylsulfonyloxy)-2,5-dihydropyrrole-1-carboxylate
CID 141674264
tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(trifluoromethylsulfonyloxy)-2,5-dihydropyrrole-1-carboxylate
CID 163225582
Tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,5-dihydropyrrole-1-carboxylate
CID 11270902
tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate
CID 11618502
methyl (3R,6R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 42612329
Tert-butyl 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyridine-1-carboxylate
CID 101218123
tert-butyl (4S)-4-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134840091

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-N-formylcarbamate?
The IUPAC name of tert-butyl N-[1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-N-formylcarbamate (CID 75233329) is tert-butyl N-[1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-N-formylcarbamate.
What is the SMILES notation for tert-butyl N-[1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-N-formylcarbamate?
The canonical SMILES for tert-butyl N-[1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-N-formylcarbamate is C=CC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N(C=O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-N-formylcarbamate?
The InChIKey is MZVLTQGXYRTSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO4Si/c1-8-21(27(20-28)24(29)31-25(2,3)4)19-30-32(26(5,6)7,22-15-11-9-12-16-22)23-17-13-10-14-18-23/h8-18,20-21H,1,19H2,2-7H3.
What are the key properties of tert-butyl N-[1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-N-formylcarbamate?
tert-butyl N-[1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-N-formylcarbamate has a molecular weight of 453.66 g/mol, XLogP of 4.51, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-N-formylcarbamate is sourced from PubChem (CID 75233329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).