tert-butyl N-[2-[[(4R,5S)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]ethyl]-N-methylcarbamate

C32H49NO6Si — CID 66817451

IUPACtert-butyl N-[2-[[(4R,5S)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]ethyl]-N-methylcarbamate
SMILESCN(CCOC[C@H]1OC(C)(C)O[C@H]1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C32H49NO6Si/c1-30(2,3)39-29(34)33(9)21-23-35-24-28-27(37-32(7,8)38-28)20-22-36-40(31(4,5)6,25-16-12-10-13-17-25)26-18-14-11-15-19-26/h10-19,27-28H,20-24H2,1-9H3/t27-,28+/m0/s1
InChIKeyJACCOHPXXXJEQQ-WUFINQPMSA-N
MW571.83 g/mol
LogP5.36
Rot. Bonds11

About tert-butyl N-[2-[[(4R,5S)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]ethyl]-N-methylcarbamate

tert-butyl N-[2-[[(4R,5S)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]ethyl]-N-methylcarbamate (PubChem CID 66817451) has the molecular formula C32H49NO6Si and a molecular weight of 571.83 g/mol. Its IUPAC name is tert-butyl N-[2-[[(4R,5S)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[(4R,5S)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]ethyl]-N-methylcarbamate
PubChem CID66817451
Molecular FormulaC32H49NO6Si
Molecular Weight571.83 g/mol
Exact Mass571.33
IUPAC Nametert-butyl N-[2-[[(4R,5S)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]ethyl]-N-methylcarbamate
SMILESCN(CCOC[C@H]1OC(C)(C)O[C@H]1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C32H49NO6Si/c1-30(2,3)39-29(34)33(9)21-23-35-24-28-27(37-32(7,8)38-28)20-22-36-40(31(4,5)6,25-16-12-10-13-17-25)26-18-14-11-15-19-26/h10-19,27-28H,20-24H2,1-9H3/t27-,28+/m0/s1
InChIKeyJACCOHPXXXJEQQ-WUFINQPMSA-N
XLogP5.36
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.83
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[(4R,5S)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[[(4R,5S)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]ethyl]-N-methylcarbamate (CID 66817451) is tert-butyl N-[2-[[(4R,5S)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[[(4R,5S)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[[(4R,5S)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]ethyl]-N-methylcarbamate is CN(CCOC[C@H]1OC(C)(C)O[C@H]1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[[(4R,5S)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]ethyl]-N-methylcarbamate?
The InChIKey is JACCOHPXXXJEQQ-WUFINQPMSA-N. The full InChI is InChI=1S/C32H49NO6Si/c1-30(2,3)39-29(34)33(9)21-23-35-24-28-27(37-32(7,8)38-28)20-22-36-40(31(4,5)6,25-16-12-10-13-17-25)26-18-14-11-15-19-26/h10-19,27-28H,20-24H2,1-9H3/t27-,28+/m0/s1.
What are the key properties of tert-butyl N-[2-[[(4R,5S)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[[(4R,5S)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]ethyl]-N-methylcarbamate has a molecular weight of 571.83 g/mol, XLogP of 5.36, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[(4R,5S)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]ethyl]-N-methylcarbamate is sourced from PubChem (CID 66817451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).