[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate

C30H45NO5Si — CID 10506331

About [(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate

[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate (PubChem CID 10506331) has the molecular formula C30H45NO5Si and a molecular weight of 527.78 g/mol. Its IUPAC name is [(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: [(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate
• PubChem CID: 10506331
• Molecular Formula: C30H45NO5Si
• Molecular Weight: 527.78 g/mol
• Exact Mass: 527.31
• IUPAC Name: [(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate
• SMILES: CC(C)(C)OC(=O)N[C@](C)(COC(=O)C(C)(C)C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C30H45NO5Si/c1-27(2,3)25(32)34-21-30(10,31-26(33)36-28(4,5)6)22-35-37(29(7,8)9,23-17-13-11-14-18-23)24-19-15-12-16-20-24/h11-20H,21-22H2,1-10H3,(H,31,33)/t30-/m1/s1
• InChIKey: NDBPFBAIPRNMDH-SSEXGKCCSA-N
• XLogP: 5.44
• TPSA: 73.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.78
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	1
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 [(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate?

The IUPAC name of [(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate (CID 10506331) is [(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate.

What is the SMILES notation for [(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate?

The canonical SMILES for [(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate is CC(C)(C)OC(=O)N[C@](C)(COC(=O)C(C)(C)C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of [(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate?

The InChIKey is NDBPFBAIPRNMDH-SSEXGKCCSA-N. The full InChI is InChI=1S/C30H45NO5Si/c1-27(2,3)25(32)34-21-30(10,31-26(33)36-28(4,5)6)22-35-37(29(7,8)9,23-17-13-11-14-18-23)24-19-15-12-16-20-24/h11-20H,21-22H2,1-10H3,(H,31,33)/t30-/m1/s1.

What are the key properties of [(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate?

[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate has a molecular weight of 527.78 g/mol, XLogP of 5.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 10506331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).