tert-butyl [(2R)-2-hydroxy-2-[(2S,5S)-5-methyl-5-[(2R,5S)-5-[(2R,5R)-2-methyl-5-(2-trimethylsilylethynyl)oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]propyl] carbonate

C27H46O7Si — CID 71623636

About tert-butyl [(2R)-2-hydroxy-2-[(2S,5S)-5-methyl-5-[(2R,5S)-5-[(2R,5R)-2-methyl-5-(2-trimethylsilylethynyl)oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]propyl] carbonate

tert-butyl [(2R)-2-hydroxy-2-[(2S,5S)-5-methyl-5-[(2R,5S)-5-[(2R,5R)-2-methyl-5-(2-trimethylsilylethynyl)oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]propyl] carbonate (PubChem CID 71623636) has the molecular formula C27H46O7Si and a molecular weight of 510.74 g/mol. Its IUPAC name is tert-butyl [(2R)-2-hydroxy-2-[(2S,5S)-5-methyl-5-[(2R,5S)-5-[(2R,5R)-2-methyl-5-(2-trimethylsilylethynyl)oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]propyl] carbonate.

Molecular Properties

• Compound Name: tert-butyl [(2R)-2-hydroxy-2-[(2S,5S)-5-methyl-5-[(2R,5S)-5-[(2R,5R)-2-methyl-5-(2-trimethylsilylethynyl)oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]propyl] carbonate
• PubChem CID: 71623636
• Molecular Formula: C27H46O7Si
• Molecular Weight: 510.74 g/mol
• Exact Mass: 510.30
• IUPAC Name: tert-butyl [(2R)-2-hydroxy-2-[(2S,5S)-5-methyl-5-[(2R,5S)-5-[(2R,5R)-2-methyl-5-(2-trimethylsilylethynyl)oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]propyl] carbonate
• SMILES: CC(C)(C)OC(=O)OC[C@@](C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@@H]([C@@]3(C)CC[C@H](C#C[Si](C)(C)C)O3)O2)O1
• InChI: InChI=1S/C27H46O7Si/c1-24(2,3)34-23(28)30-18-25(4,29)20-13-16-27(6,33-20)22-11-10-21(31-22)26(5)15-12-19(32-26)14-17-35(7,8)9/h19-22,29H,10-13,15-16,18H2,1-9H3/t19-,20+,21+,22-,25-,26-,27+/m1/s1
• InChIKey: CWWDTEMGAYWVFZ-GQMYPUFISA-N
• XLogP: 4.99
• TPSA: 83.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.74
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl [(2R)-2-hydroxy-2-[(2S,5S)-5-methyl-5-[(2R,5S)-5-[(2R,5R)-2-methyl-5-(2-trimethylsilylethynyl)oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]propyl] carbonate?

The IUPAC name of tert-butyl [(2R)-2-hydroxy-2-[(2S,5S)-5-methyl-5-[(2R,5S)-5-[(2R,5R)-2-methyl-5-(2-trimethylsilylethynyl)oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]propyl] carbonate (CID 71623636) is tert-butyl [(2R)-2-hydroxy-2-[(2S,5S)-5-methyl-5-[(2R,5S)-5-[(2R,5R)-2-methyl-5-(2-trimethylsilylethynyl)oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]propyl] carbonate.

What is the SMILES notation for tert-butyl [(2R)-2-hydroxy-2-[(2S,5S)-5-methyl-5-[(2R,5S)-5-[(2R,5R)-2-methyl-5-(2-trimethylsilylethynyl)oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]propyl] carbonate?

The canonical SMILES for tert-butyl [(2R)-2-hydroxy-2-[(2S,5S)-5-methyl-5-[(2R,5S)-5-[(2R,5R)-2-methyl-5-(2-trimethylsilylethynyl)oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]propyl] carbonate is CC(C)(C)OC(=O)OC[C@@](C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@@H]([C@@]3(C)CC[C@H](C#C[Si](C)(C)C)O3)O2)O1.

What is the InChIKey of tert-butyl [(2R)-2-hydroxy-2-[(2S,5S)-5-methyl-5-[(2R,5S)-5-[(2R,5R)-2-methyl-5-(2-trimethylsilylethynyl)oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]propyl] carbonate?

The InChIKey is CWWDTEMGAYWVFZ-GQMYPUFISA-N. The full InChI is InChI=1S/C27H46O7Si/c1-24(2,3)34-23(28)30-18-25(4,29)20-13-16-27(6,33-20)22-11-10-21(31-22)26(5)15-12-19(32-26)14-17-35(7,8)9/h19-22,29H,10-13,15-16,18H2,1-9H3/t19-,20+,21+,22-,25-,26-,27+/m1/s1.

What are the key properties of tert-butyl [(2R)-2-hydroxy-2-[(2S,5S)-5-methyl-5-[(2R,5S)-5-[(2R,5R)-2-methyl-5-(2-trimethylsilylethynyl)oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]propyl] carbonate?

tert-butyl [(2R)-2-hydroxy-2-[(2S,5S)-5-methyl-5-[(2R,5S)-5-[(2R,5R)-2-methyl-5-(2-trimethylsilylethynyl)oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]propyl] carbonate has a molecular weight of 510.74 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl [(2R)-2-hydroxy-2-[(2S,5S)-5-methyl-5-[(2R,5S)-5-[(2R,5R)-2-methyl-5-(2-trimethylsilylethynyl)oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]propyl] carbonate is sourced from PubChem (CID 71623636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).