tert-butyl N-[(1S)-5-[tert-butyl(diphenyl)silyl]oxy-3,3-dimethyl-1-(2-oxooxolan-3-yl)pentyl]carbamate

C32H47NO5Si — CID 22882499

IUPACtert-butyl N-[(1S)-5-[tert-butyl(diphenyl)silyl]oxy-3,3-dimethyl-1-(2-oxooxolan-3-yl)pentyl]carbamate
SMILESCC(C)(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@H](NC(=O)OC(C)(C)C)C1CCOC1=O
InChIInChI=1S/C32H47NO5Si/c1-30(2,3)38-29(35)33-27(26-19-21-36-28(26)34)23-32(7,8)20-22-37-39(31(4,5)6,24-15-11-9-12-16-24)25-17-13-10-14-18-25/h9-18,26-27H,19-23H2,1-8H3,(H,33,35)/t26?,27-/m0/s1
InChIKeyQPMCSRLLFHWICH-GEVKEYJPSA-N
MW553.82 g/mol
LogP5.83
Rot. Bonds10

About tert-butyl N-[(1S)-5-[tert-butyl(diphenyl)silyl]oxy-3,3-dimethyl-1-(2-oxooxolan-3-yl)pentyl]carbamate

tert-butyl N-[(1S)-5-[tert-butyl(diphenyl)silyl]oxy-3,3-dimethyl-1-(2-oxooxolan-3-yl)pentyl]carbamate (PubChem CID 22882499) has the molecular formula C32H47NO5Si and a molecular weight of 553.82 g/mol. Its IUPAC name is tert-butyl N-[(1S)-5-[tert-butyl(diphenyl)silyl]oxy-3,3-dimethyl-1-(2-oxooxolan-3-yl)pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-5-[tert-butyl(diphenyl)silyl]oxy-3,3-dimethyl-1-(2-oxooxolan-3-yl)pentyl]carbamate
PubChem CID22882499
Molecular FormulaC32H47NO5Si
Molecular Weight553.82 g/mol
Exact Mass553.32
IUPAC Nametert-butyl N-[(1S)-5-[tert-butyl(diphenyl)silyl]oxy-3,3-dimethyl-1-(2-oxooxolan-3-yl)pentyl]carbamate
SMILESCC(C)(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@H](NC(=O)OC(C)(C)C)C1CCOC1=O
InChIInChI=1S/C32H47NO5Si/c1-30(2,3)38-29(35)33-27(26-19-21-36-28(26)34)23-32(7,8)20-22-37-39(31(4,5)6,24-15-11-9-12-16-24)25-17-13-10-14-18-25/h9-18,26-27H,19-23H2,1-8H3,(H,33,35)/t26?,27-/m0/s1
InChIKeyQPMCSRLLFHWICH-GEVKEYJPSA-N
XLogP5.83
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.82
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-5-[tert-butyl(diphenyl)silyl]oxy-3,3-dimethyl-1-(2-oxooxolan-3-yl)pentyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-5-[tert-butyl(diphenyl)silyl]oxy-3,3-dimethyl-1-(2-oxooxolan-3-yl)pentyl]carbamate (CID 22882499) is tert-butyl N-[(1S)-5-[tert-butyl(diphenyl)silyl]oxy-3,3-dimethyl-1-(2-oxooxolan-3-yl)pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-5-[tert-butyl(diphenyl)silyl]oxy-3,3-dimethyl-1-(2-oxooxolan-3-yl)pentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-5-[tert-butyl(diphenyl)silyl]oxy-3,3-dimethyl-1-(2-oxooxolan-3-yl)pentyl]carbamate is CC(C)(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@H](NC(=O)OC(C)(C)C)C1CCOC1=O.
What is the InChIKey of tert-butyl N-[(1S)-5-[tert-butyl(diphenyl)silyl]oxy-3,3-dimethyl-1-(2-oxooxolan-3-yl)pentyl]carbamate?
The InChIKey is QPMCSRLLFHWICH-GEVKEYJPSA-N. The full InChI is InChI=1S/C32H47NO5Si/c1-30(2,3)38-29(35)33-27(26-19-21-36-28(26)34)23-32(7,8)20-22-37-39(31(4,5)6,24-15-11-9-12-16-24)25-17-13-10-14-18-25/h9-18,26-27H,19-23H2,1-8H3,(H,33,35)/t26?,27-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-5-[tert-butyl(diphenyl)silyl]oxy-3,3-dimethyl-1-(2-oxooxolan-3-yl)pentyl]carbamate?
tert-butyl N-[(1S)-5-[tert-butyl(diphenyl)silyl]oxy-3,3-dimethyl-1-(2-oxooxolan-3-yl)pentyl]carbamate has a molecular weight of 553.82 g/mol, XLogP of 5.83, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-5-[tert-butyl(diphenyl)silyl]oxy-3,3-dimethyl-1-(2-oxooxolan-3-yl)pentyl]carbamate is sourced from PubChem (CID 22882499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).