tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)pent-4-en-2-yl]carbamate

C28H41NO5Si — CID 134835598

IUPACtert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)pent-4-en-2-yl]carbamate
SMILESC=C[C@H](OCOC)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C28H41NO5Si/c1-9-25(32-21-31-8)24(29-26(30)34-27(2,3)4)20-33-35(28(5,6)7,22-16-12-10-13-17-22)23-18-14-11-15-19-23/h9-19,24-25H,1,20-21H2,2-8H3,(H,29,30)/t24-,25-/m0/s1
InChIKeyMEPIRSMAFMWLFV-DQEYMECFSA-N
MW499.72 g/mol
LogP4.63
Rot. Bonds11

About tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)pent-4-en-2-yl]carbamate

tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)pent-4-en-2-yl]carbamate (PubChem CID 134835598) has the molecular formula C28H41NO5Si and a molecular weight of 499.72 g/mol. Its IUPAC name is tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)pent-4-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)pent-4-en-2-yl]carbamate
PubChem CID134835598
Molecular FormulaC28H41NO5Si
Molecular Weight499.72 g/mol
Exact Mass499.28
IUPAC Nametert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)pent-4-en-2-yl]carbamate
SMILESC=C[C@H](OCOC)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C28H41NO5Si/c1-9-25(32-21-31-8)24(29-26(30)34-27(2,3)4)20-33-35(28(5,6)7,22-16-12-10-13-17-22)23-18-14-11-15-19-23/h9-19,24-25H,1,20-21H2,2-8H3,(H,29,30)/t24-,25-/m0/s1
InChIKeyMEPIRSMAFMWLFV-DQEYMECFSA-N
XLogP4.63
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.72
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)pent-4-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)pent-4-en-2-yl]carbamate (CID 134835598) is tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)pent-4-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)pent-4-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)pent-4-en-2-yl]carbamate is C=C[C@H](OCOC)[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,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)pent-4-en-2-yl]carbamate?
The InChIKey is MEPIRSMAFMWLFV-DQEYMECFSA-N. The full InChI is InChI=1S/C28H41NO5Si/c1-9-25(32-21-31-8)24(29-26(30)34-27(2,3)4)20-33-35(28(5,6)7,22-16-12-10-13-17-22)23-18-14-11-15-19-23/h9-19,24-25H,1,20-21H2,2-8H3,(H,29,30)/t24-,25-/m0/s1.
What are the key properties of tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)pent-4-en-2-yl]carbamate?
tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)pent-4-en-2-yl]carbamate has a molecular weight of 499.72 g/mol, XLogP of 4.63, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-(methoxymethoxy)pent-4-en-2-yl]carbamate is sourced from PubChem (CID 134835598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).