benzyl N-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-oxobutan-2-yl]carbamate

C24H43NO5Si2 — CID 134852254

About benzyl N-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-oxobutan-2-yl]carbamate

benzyl N-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-oxobutan-2-yl]carbamate (PubChem CID 134852254) has the molecular formula C24H43NO5Si2 and a molecular weight of 481.78 g/mol. Its IUPAC name is benzyl N-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-oxobutan-2-yl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-oxobutan-2-yl]carbamate
• PubChem CID: 134852254
• Molecular Formula: C24H43NO5Si2
• Molecular Weight: 481.78 g/mol
• Exact Mass: 481.27
• IUPAC Name: benzyl N-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-oxobutan-2-yl]carbamate
• SMILES: CC(C)(C)[Si](C)(C)OC[C@H](NC(=O)OCc1ccccc1)[C@H](C=O)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C24H43NO5Si2/c1-23(2,3)31(7,8)29-18-20(21(16-26)30-32(9,10)24(4,5)6)25-22(27)28-17-19-14-12-11-13-15-19/h11-16,20-21H,17-18H2,1-10H3,(H,25,27)/t20-,21-/m0/s1
• InChIKey: ZCIROSVMOVDZLL-SFTDATJTSA-N
• XLogP: 5.89
• TPSA: 73.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.78
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-oxobutan-2-yl]carbamate?

The IUPAC name of benzyl N-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-oxobutan-2-yl]carbamate (CID 134852254) is benzyl N-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-oxobutan-2-yl]carbamate.

What is the SMILES notation for benzyl N-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-oxobutan-2-yl]carbamate?

The canonical SMILES for benzyl N-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-oxobutan-2-yl]carbamate is CC(C)(C)[Si](C)(C)OC[C@H](NC(=O)OCc1ccccc1)[C@H](C=O)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of benzyl N-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-oxobutan-2-yl]carbamate?

The InChIKey is ZCIROSVMOVDZLL-SFTDATJTSA-N. The full InChI is InChI=1S/C24H43NO5Si2/c1-23(2,3)31(7,8)29-18-20(21(16-26)30-32(9,10)24(4,5)6)25-22(27)28-17-19-14-12-11-13-15-19/h11-16,20-21H,17-18H2,1-10H3,(H,25,27)/t20-,21-/m0/s1.

What are the key properties of benzyl N-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-oxobutan-2-yl]carbamate?

benzyl N-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-oxobutan-2-yl]carbamate has a molecular weight of 481.78 g/mol, XLogP of 5.89, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[(2S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-oxobutan-2-yl]carbamate is sourced from PubChem (CID 134852254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).