benzyl N-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropyl]carbamate

C27H33NO4Si — CID 169099958

IUPACbenzyl N-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropyl]carbamate
SMILESCC(C)(C)[Si](OCC(O)CNC(=O)OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H33NO4Si/c1-27(2,3)33(24-15-9-5-10-16-24,25-17-11-6-12-18-25)32-21-23(29)19-28-26(30)31-20-22-13-7-4-8-14-22/h4-18,23,29H,19-21H2,1-3H3,(H,28,30)
InChIKeyWOIJQLOOSWSVDS-UHFFFAOYSA-N
MW463.65 g/mol
LogP3.85
Rot. Bonds9

About benzyl N-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropyl]carbamate

benzyl N-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropyl]carbamate (PubChem CID 169099958) has the molecular formula C27H33NO4Si and a molecular weight of 463.65 g/mol. Its IUPAC name is benzyl N-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropyl]carbamate
PubChem CID169099958
Molecular FormulaC27H33NO4Si
Molecular Weight463.65 g/mol
Exact Mass463.22
IUPAC Namebenzyl N-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropyl]carbamate
SMILESCC(C)(C)[Si](OCC(O)CNC(=O)OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H33NO4Si/c1-27(2,3)33(24-15-9-5-10-16-24,25-17-11-6-12-18-25)32-21-23(29)19-28-26(30)31-20-22-13-7-4-8-14-22/h4-18,23,29H,19-21H2,1-3H3,(H,28,30)
InChIKeyWOIJQLOOSWSVDS-UHFFFAOYSA-N
XLogP3.85
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.65
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropyl]carbamate
CID 171482171
(3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methyl-3-(phenylmethoxycarbonylamino)butanoic acid
CID 66637054
benzyl N-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methyl]carbamate
CID 68527039
benzyl N-[(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-(4-methylphenyl)propyl]carbamate
CID 159958127
benzyl N-[(1R,2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-(4-methylphenyl)propyl]carbamate
CID 159958128
(3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 69018009
benzyl N-[(2R,3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-1-(triazol-2-yl)butan-2-yl]carbamate
CID 140879359
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
benzyl N-[(2R)-2-hydroxy-3-phenoxypropyl]carbamate
CID 102235547
benzyl N-[(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-3-methylbutan-2-yl]-N-(phenylmethoxycarbonylamino)carbamate
CID 102230944
benzyl N-[(2R)-4-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-3-methylbutan-2-yl]-N-(phenylmethoxycarbonylamino)carbamate
CID 102230942
methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate
CID 11749095

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropyl]carbamate?
The IUPAC name of benzyl N-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropyl]carbamate (CID 169099958) is benzyl N-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropyl]carbamate.
What is the SMILES notation for benzyl N-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropyl]carbamate?
The canonical SMILES for benzyl N-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropyl]carbamate is CC(C)(C)[Si](OCC(O)CNC(=O)OCc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of benzyl N-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropyl]carbamate?
The InChIKey is WOIJQLOOSWSVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NO4Si/c1-27(2,3)33(24-15-9-5-10-16-24,25-17-11-6-12-18-25)32-21-23(29)19-28-26(30)31-20-22-13-7-4-8-14-22/h4-18,23,29H,19-21H2,1-3H3,(H,28,30).
What are the key properties of benzyl N-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropyl]carbamate?
benzyl N-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropyl]carbamate has a molecular weight of 463.65 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropyl]carbamate is sourced from PubChem (CID 169099958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).