tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-ethyl-7-hydroxyheptan-2-yl]carbamate

C30H47NO4Si — CID 58330007

About tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-ethyl-7-hydroxyheptan-2-yl]carbamate

tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-ethyl-7-hydroxyheptan-2-yl]carbamate (PubChem CID 58330007) has the molecular formula C30H47NO4Si and a molecular weight of 513.80 g/mol. Its IUPAC name is tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-ethyl-7-hydroxyheptan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-ethyl-7-hydroxyheptan-2-yl]carbamate
• PubChem CID: 58330007
• Molecular Formula: C30H47NO4Si
• Molecular Weight: 513.80 g/mol
• Exact Mass: 513.33
• IUPAC Name: tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-ethyl-7-hydroxyheptan-2-yl]carbamate
• SMILES: CC[C@H](CCCO)C[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C
• InChI: InChI=1S/C30H47NO4Si/c1-8-24(16-15-21-32)22-25(31-28(33)35-29(2,3)4)23-34-36(30(5,6)7,26-17-11-9-12-18-26)27-19-13-10-14-20-27/h9-14,17-20,24-25,32H,8,15-16,21-23H2,1-7H3,(H,31,33)/t24-,25+/m1/s1
• InChIKey: DOWZDHKMNWUHLV-RPBOFIJWSA-N
• XLogP: 5.65
• TPSA: 67.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.80
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-ethyl-7-hydroxyheptan-2-yl]carbamate?

The IUPAC name of tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-ethyl-7-hydroxyheptan-2-yl]carbamate (CID 58330007) is tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-ethyl-7-hydroxyheptan-2-yl]carbamate.

What is the SMILES notation for tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-ethyl-7-hydroxyheptan-2-yl]carbamate?

The canonical SMILES for tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-ethyl-7-hydroxyheptan-2-yl]carbamate is CC[C@H](CCCO)C[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-ethyl-7-hydroxyheptan-2-yl]carbamate?

The InChIKey is DOWZDHKMNWUHLV-RPBOFIJWSA-N. The full InChI is InChI=1S/C30H47NO4Si/c1-8-24(16-15-21-32)22-25(31-28(33)35-29(2,3)4)23-34-36(30(5,6)7,26-17-11-9-12-18-26)27-19-13-10-14-20-27/h9-14,17-20,24-25,32H,8,15-16,21-23H2,1-7H3,(H,31,33)/t24-,25+/m1/s1.

What are the key properties of tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-ethyl-7-hydroxyheptan-2-yl]carbamate?

tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-ethyl-7-hydroxyheptan-2-yl]carbamate has a molecular weight of 513.80 g/mol, XLogP of 5.65, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(2S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-ethyl-7-hydroxyheptan-2-yl]carbamate is sourced from PubChem (CID 58330007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).