tert-butyl N-benzyl-N-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl]carbamate

C24H39NO4Si — CID 56653957

About tert-butyl N-benzyl-N-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl]carbamate

tert-butyl N-benzyl-N-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl]carbamate (PubChem CID 56653957) has the molecular formula C24H39NO4Si and a molecular weight of 433.67 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-benzyl-N-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl]carbamate
• PubChem CID: 56653957
• Molecular Formula: C24H39NO4Si
• Molecular Weight: 433.67 g/mol
• Exact Mass: 433.26
• IUPAC Name: tert-butyl N-benzyl-N-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl]carbamate
• SMILES: CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H]1C=CCO[C@@H]1CO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C24H39NO4Si/c1-23(2,3)29-22(26)25(17-19-13-10-9-11-14-19)20-15-12-16-27-21(20)18-28-30(7,8)24(4,5)6/h9-15,20-21H,16-18H2,1-8H3/t20-,21+/m0/s1
• InChIKey: OXBUWFGTKUXZOO-LEWJYISDSA-N
• XLogP: 5.77
• TPSA: 48.00 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.67
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl]carbamate?

The IUPAC name of tert-butyl N-benzyl-N-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl]carbamate (CID 56653957) is tert-butyl N-benzyl-N-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl]carbamate.

What is the SMILES notation for tert-butyl N-benzyl-N-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl]carbamate?

The canonical SMILES for tert-butyl N-benzyl-N-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl]carbamate is CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H]1C=CCO[C@@H]1CO[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl N-benzyl-N-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl]carbamate?

The InChIKey is OXBUWFGTKUXZOO-LEWJYISDSA-N. The full InChI is InChI=1S/C24H39NO4Si/c1-23(2,3)29-22(26)25(17-19-13-10-9-11-14-19)20-15-12-16-27-21(20)18-28-30(7,8)24(4,5)6/h9-15,20-21H,16-18H2,1-8H3/t20-,21+/m0/s1.

What are the key properties of tert-butyl N-benzyl-N-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl]carbamate?

tert-butyl N-benzyl-N-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl]carbamate has a molecular weight of 433.67 g/mol, XLogP of 5.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-benzyl-N-[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyran-3-yl]carbamate is sourced from PubChem (CID 56653957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).