[(2S,3R)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]methyl N-benzylcarbamate

C30H37NO4Si — CID 10994736

IUPAC[(2S,3R)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]methyl N-benzylcarbamate
SMILESCC(C)(C)[Si](OCCC[C@H]1O[C@H]1COC(=O)NCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H37NO4Si/c1-30(2,3)36(25-16-9-5-10-17-25,26-18-11-6-12-19-26)34-21-13-20-27-28(35-27)23-33-29(32)31-22-24-14-7-4-8-15-24/h4-12,14-19,27-28H,13,20-23H2,1-3H3,(H,31,32)/t27-,28+/m1/s1
InChIKeyAQJPXXKQMXAUMA-IZLXSDGUSA-N
MW503.72 g/mol
LogP5.04
Rot. Bonds11

About [(2S,3R)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]methyl N-benzylcarbamate

[(2S,3R)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]methyl N-benzylcarbamate (PubChem CID 10994736) has the molecular formula C30H37NO4Si and a molecular weight of 503.72 g/mol. Its IUPAC name is [(2S,3R)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]methyl N-benzylcarbamate.

Molecular Properties

Compound Name[(2S,3R)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]methyl N-benzylcarbamate
PubChem CID10994736
Molecular FormulaC30H37NO4Si
Molecular Weight503.72 g/mol
Exact Mass503.25
IUPAC Name[(2S,3R)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]methyl N-benzylcarbamate
SMILESCC(C)(C)[Si](OCCC[C@H]1O[C@H]1COC(=O)NCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H37NO4Si/c1-30(2,3)36(25-16-9-5-10-17-25,26-18-11-6-12-19-26)34-21-13-20-27-28(35-27)23-33-29(32)31-22-24-14-7-4-8-15-24/h4-12,14-19,27-28H,13,20-23H2,1-3H3,(H,31,32)/t27-,28+/m1/s1
InChIKeyAQJPXXKQMXAUMA-IZLXSDGUSA-N
XLogP5.04
TPSA60.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.72
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2S,3R)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]methyl N-benzylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]methanol
CID 135021145
[(2S,3S)-3-prop-2-enyloxiran-2-yl]methyl N-benzylcarbamate
CID 11184203
tert-butyl-diphenyl-[[(2S,3R)-3-[[(2S,3R)-3-undecyloxiran-2-yl]methyl]oxiran-2-yl]methoxy]silane
CID 11145784
tert-butyl 3-[(2R,3R)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]-3-hydroxypropanoate
CID 101042951
tert-butyl-diphenyl-[3-[(2R,3R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]propoxy]silane
CID 23240933
[(2S,3R,5R)-4-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)oxolan-3-yl] acetate
CID 58592657
tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]propanoate
CID 11028378
benzyl N-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropyl]carbamate
CID 169099958
benzyl N-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropyl]carbamate
CID 171482171
benzene;ethyl N-benzylcarbamate
CID 67715166
9H-fluoren-9-ylmethyl N-[1-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 58841936
[(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[8-[tert-butyl(diphenyl)silyl]oxyoctoxy]oxan-2-yl]methyl benzoate
CID 71814070

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]methyl N-benzylcarbamate?
The IUPAC name of [(2S,3R)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]methyl N-benzylcarbamate (CID 10994736) is [(2S,3R)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]methyl N-benzylcarbamate.
What is the SMILES notation for [(2S,3R)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]methyl N-benzylcarbamate?
The canonical SMILES for [(2S,3R)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]methyl N-benzylcarbamate is CC(C)(C)[Si](OCCC[C@H]1O[C@H]1COC(=O)NCc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2S,3R)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]methyl N-benzylcarbamate?
The InChIKey is AQJPXXKQMXAUMA-IZLXSDGUSA-N. The full InChI is InChI=1S/C30H37NO4Si/c1-30(2,3)36(25-16-9-5-10-17-25,26-18-11-6-12-19-26)34-21-13-20-27-28(35-27)23-33-29(32)31-22-24-14-7-4-8-15-24/h4-12,14-19,27-28H,13,20-23H2,1-3H3,(H,31,32)/t27-,28+/m1/s1.
What are the key properties of [(2S,3R)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]methyl N-benzylcarbamate?
[(2S,3R)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]methyl N-benzylcarbamate has a molecular weight of 503.72 g/mol, XLogP of 5.04, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-[3-[tert-butyl(diphenyl)silyl]oxypropyl]oxiran-2-yl]methyl N-benzylcarbamate is sourced from PubChem (CID 10994736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).