3-[(2R,3R,4R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-hydroxy-4-tri(propan-2-yl)silyloxyoxan-2-yl]propyl acetate

C37H60O6Si2 — CID 11388218

About 3-[(2R,3R,4R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-hydroxy-4-tri(propan-2-yl)silyloxyoxan-2-yl]propyl acetate

3-[(2R,3R,4R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-hydroxy-4-tri(propan-2-yl)silyloxyoxan-2-yl]propyl acetate (PubChem CID 11388218) has the molecular formula C37H60O6Si2 and a molecular weight of 657.05 g/mol. Its IUPAC name is 3-[(2R,3R,4R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-hydroxy-4-tri(propan-2-yl)silyloxyoxan-2-yl]propyl acetate.

Molecular Properties

• Compound Name: 3-[(2R,3R,4R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-hydroxy-4-tri(propan-2-yl)silyloxyoxan-2-yl]propyl acetate
• PubChem CID: 11388218
• Molecular Formula: C37H60O6Si2
• Molecular Weight: 657.05 g/mol
• Exact Mass: 656.39
• IUPAC Name: 3-[(2R,3R,4R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-hydroxy-4-tri(propan-2-yl)silyloxyoxan-2-yl]propyl acetate
• SMILES: CC(=O)OCCC[C@H]1O[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O
• InChI: InChI=1S/C37H60O6Si2/c1-27(2)44(28(3)4,29(5)6)43-35-26-31(42-34(36(35)39)22-17-24-40-30(7)38)23-25-41-45(37(8,9)10,32-18-13-11-14-19-32)33-20-15-12-16-21-33/h11-16,18-21,27-29,31,34-36,39H,17,22-26H2,1-10H3/t31-,34-,35-,36-/m1/s1
• InChIKey: GJJBBVJXNKEEOT-MBWVZDRISA-N
• XLogP: 7.38
• TPSA: 74.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	657.05
LogP ≤ 5	7.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,3R,4R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-hydroxy-4-tri(propan-2-yl)silyloxyoxan-2-yl]propyl acetate?

The IUPAC name of 3-[(2R,3R,4R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-hydroxy-4-tri(propan-2-yl)silyloxyoxan-2-yl]propyl acetate (CID 11388218) is 3-[(2R,3R,4R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-hydroxy-4-tri(propan-2-yl)silyloxyoxan-2-yl]propyl acetate.

What is the SMILES notation for 3-[(2R,3R,4R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-hydroxy-4-tri(propan-2-yl)silyloxyoxan-2-yl]propyl acetate?

The canonical SMILES for 3-[(2R,3R,4R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-hydroxy-4-tri(propan-2-yl)silyloxyoxan-2-yl]propyl acetate is CC(=O)OCCC[C@H]1O[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O.

What is the InChIKey of 3-[(2R,3R,4R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-hydroxy-4-tri(propan-2-yl)silyloxyoxan-2-yl]propyl acetate?

The InChIKey is GJJBBVJXNKEEOT-MBWVZDRISA-N. The full InChI is InChI=1S/C37H60O6Si2/c1-27(2)44(28(3)4,29(5)6)43-35-26-31(42-34(36(35)39)22-17-24-40-30(7)38)23-25-41-45(37(8,9)10,32-18-13-11-14-19-32)33-20-15-12-16-21-33/h11-16,18-21,27-29,31,34-36,39H,17,22-26H2,1-10H3/t31-,34-,35-,36-/m1/s1.

What are the key properties of 3-[(2R,3R,4R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-hydroxy-4-tri(propan-2-yl)silyloxyoxan-2-yl]propyl acetate?

3-[(2R,3R,4R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-hydroxy-4-tri(propan-2-yl)silyloxyoxan-2-yl]propyl acetate has a molecular weight of 657.05 g/mol, XLogP of 7.38, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2R,3R,4R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-hydroxy-4-tri(propan-2-yl)silyloxyoxan-2-yl]propyl acetate is sourced from PubChem (CID 11388218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).