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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Related Compounds

CID 44239248
CID 44239248
CID 19697613
CID 19697613
CID 21221092
CID 21221092
CID 22874271
CID 22874271
CID 22874335
CID 22874335
CID 22882496
CID 22882496
CID 54413468
CID 54413468
CID 57261199
CID 57261199
CID 67591515
CID 67591515
CID 67591644
CID 67591644
CID 67625916
CID 67625916
CID 67626917
CID 67626917

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).