tert-butyl (2R)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyheptyl]-7-oxo-2-(phenylmethoxymethyl)-1-azaspiro[4.5]decane-1-carboxylate

C35H59NO5Si — CID 134852791

About tert-butyl (2R)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyheptyl]-7-oxo-2-(phenylmethoxymethyl)-1-azaspiro[4.5]decane-1-carboxylate

tert-butyl (2R)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyheptyl]-7-oxo-2-(phenylmethoxymethyl)-1-azaspiro[4.5]decane-1-carboxylate (PubChem CID 134852791) has the molecular formula C35H59NO5Si and a molecular weight of 601.95 g/mol. Its IUPAC name is tert-butyl (2R)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyheptyl]-7-oxo-2-(phenylmethoxymethyl)-1-azaspiro[4.5]decane-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (2R)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyheptyl]-7-oxo-2-(phenylmethoxymethyl)-1-azaspiro[4.5]decane-1-carboxylate
• PubChem CID: 134852791
• Molecular Formula: C35H59NO5Si
• Molecular Weight: 601.95 g/mol
• Exact Mass: 601.42
• IUPAC Name: tert-butyl (2R)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyheptyl]-7-oxo-2-(phenylmethoxymethyl)-1-azaspiro[4.5]decane-1-carboxylate
• SMILES: CCCC[C@H](CCC1C(=O)CCCC12CC[C@H](COCc1ccccc1)N2C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C35H59NO5Si/c1-10-11-18-29(41-42(8,9)34(5,6)7)20-21-30-31(37)19-15-23-35(30)24-22-28(36(35)32(38)40-33(2,3)4)26-39-25-27-16-13-12-14-17-27/h12-14,16-17,28-30H,10-11,15,18-26H2,1-9H3/t28-,29-,30?,35?/m1/s1
• InChIKey: XQANNPOFZDXCJT-FEHFKCKSSA-N
• XLogP: 9.07
• TPSA: 65.07 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.95
LogP ≤ 5	9.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyheptyl]-7-oxo-2-(phenylmethoxymethyl)-1-azaspiro[4.5]decane-1-carboxylate?

The IUPAC name of tert-butyl (2R)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyheptyl]-7-oxo-2-(phenylmethoxymethyl)-1-azaspiro[4.5]decane-1-carboxylate (CID 134852791) is tert-butyl (2R)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyheptyl]-7-oxo-2-(phenylmethoxymethyl)-1-azaspiro[4.5]decane-1-carboxylate.

What is the SMILES notation for tert-butyl (2R)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyheptyl]-7-oxo-2-(phenylmethoxymethyl)-1-azaspiro[4.5]decane-1-carboxylate?

The canonical SMILES for tert-butyl (2R)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyheptyl]-7-oxo-2-(phenylmethoxymethyl)-1-azaspiro[4.5]decane-1-carboxylate is CCCC[C@H](CCC1C(=O)CCCC12CC[C@H](COCc1ccccc1)N2C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl (2R)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyheptyl]-7-oxo-2-(phenylmethoxymethyl)-1-azaspiro[4.5]decane-1-carboxylate?

The InChIKey is XQANNPOFZDXCJT-FEHFKCKSSA-N. The full InChI is InChI=1S/C35H59NO5Si/c1-10-11-18-29(41-42(8,9)34(5,6)7)20-21-30-31(37)19-15-23-35(30)24-22-28(36(35)32(38)40-33(2,3)4)26-39-25-27-16-13-12-14-17-27/h12-14,16-17,28-30H,10-11,15,18-26H2,1-9H3/t28-,29-,30?,35?/m1/s1.

What are the key properties of tert-butyl (2R)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyheptyl]-7-oxo-2-(phenylmethoxymethyl)-1-azaspiro[4.5]decane-1-carboxylate?

tert-butyl (2R)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyheptyl]-7-oxo-2-(phenylmethoxymethyl)-1-azaspiro[4.5]decane-1-carboxylate has a molecular weight of 601.95 g/mol, XLogP of 9.07, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2R)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyheptyl]-7-oxo-2-(phenylmethoxymethyl)-1-azaspiro[4.5]decane-1-carboxylate is sourced from PubChem (CID 134852791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).