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

C25H35NO3Si — CID 11177779

IUPACtert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]carbamate
SMILESC=C[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C25H35NO3Si/c1-8-20(26-23(27)29-24(2,3)4)19-28-30(25(5,6)7,21-15-11-9-12-16-21)22-17-13-10-14-18-22/h8-18,20H,1,19H2,2-7H3,(H,26,27)/t20-/m0/s1
InChIKeyABYHUWLCASRKJJ-FQEVSTJZSA-N
MW425.65 g/mol
LogP4.64
Rot. Bonds7

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

tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]carbamate (PubChem CID 11177779) has the molecular formula C25H35NO3Si and a molecular weight of 425.65 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]carbamate
PubChem CID11177779
Molecular FormulaC25H35NO3Si
Molecular Weight425.65 g/mol
Exact Mass425.24
IUPAC Nametert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]carbamate
SMILESC=C[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C25H35NO3Si/c1-8-20(26-23(27)29-24(2,3)4)19-28-30(25(5,6)7,21-15-11-9-12-16-21)22-17-13-10-14-18-22/h8-18,20H,1,19H2,2-7H3,(H,26,27)/t20-/m0/s1
InChIKeyABYHUWLCASRKJJ-FQEVSTJZSA-N
XLogP4.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.65
LogP ≤ 54.64
H-Bond Donors ≤ 51
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-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]carbamate (CID 11177779) is tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]carbamate is C=C[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]carbamate?
The InChIKey is ABYHUWLCASRKJJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H35NO3Si/c1-8-20(26-23(27)29-24(2,3)4)19-28-30(25(5,6)7,21-15-11-9-12-16-21)22-17-13-10-14-18-22/h8-18,20H,1,19H2,2-7H3,(H,26,27)/t20-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]carbamate?
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]carbamate has a molecular weight of 425.65 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]carbamate is sourced from PubChem (CID 11177779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).