tert-butyl N-but-3-enyl-N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]carbamate

C29H41NO3Si — CID 11155866

IUPACtert-butyl N-but-3-enyl-N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]carbamate
SMILESC=CCCN(C(=O)OC(C)(C)C)[C@@H](C=C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H41NO3Si/c1-9-11-22-30(27(31)33-28(3,4)5)24(10-2)23-32-34(29(6,7)8,25-18-14-12-15-19-25)26-20-16-13-17-21-26/h9-10,12-21,24H,1-2,11,22-23H2,3-8H3/t24-/m0/s1
InChIKeyGQTDPHFGPYQLDU-DEOSSOPVSA-N
MW479.74 g/mol
LogP5.93
Rot. Bonds10

About tert-butyl N-but-3-enyl-N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]carbamate

tert-butyl N-but-3-enyl-N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]carbamate (PubChem CID 11155866) has the molecular formula C29H41NO3Si and a molecular weight of 479.74 g/mol. Its IUPAC name is tert-butyl N-but-3-enyl-N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-but-3-enyl-N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]carbamate
PubChem CID11155866
Molecular FormulaC29H41NO3Si
Molecular Weight479.74 g/mol
Exact Mass479.29
IUPAC Nametert-butyl N-but-3-enyl-N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]carbamate
SMILESC=CCCN(C(=O)OC(C)(C)C)[C@@H](C=C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H41NO3Si/c1-9-11-22-30(27(31)33-28(3,4)5)24(10-2)23-32-34(29(6,7)8,25-18-14-12-15-19-25)26-20-16-13-17-21-26/h9-10,12-21,24H,1-2,11,22-23H2,3-8H3/t24-/m0/s1
InChIKeyGQTDPHFGPYQLDU-DEOSSOPVSA-N
XLogP5.93
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.74
LogP ≤ 55.93
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-but-3-enyl-N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-but-3-enyl-N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]carbamate (CID 11155866) is tert-butyl N-but-3-enyl-N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-but-3-enyl-N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-but-3-enyl-N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]carbamate is C=CCCN(C(=O)OC(C)(C)C)[C@@H](C=C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl N-but-3-enyl-N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]carbamate?
The InChIKey is GQTDPHFGPYQLDU-DEOSSOPVSA-N. The full InChI is InChI=1S/C29H41NO3Si/c1-9-11-22-30(27(31)33-28(3,4)5)24(10-2)23-32-34(29(6,7)8,25-18-14-12-15-19-25)26-20-16-13-17-21-26/h9-10,12-21,24H,1-2,11,22-23H2,3-8H3/t24-/m0/s1.
What are the key properties of tert-butyl N-but-3-enyl-N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]carbamate?
tert-butyl N-but-3-enyl-N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]carbamate has a molecular weight of 479.74 g/mol, XLogP of 5.93, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-but-3-enyl-N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]carbamate is sourced from PubChem (CID 11155866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).