[(E,2R)-7-[tert-butyl(diphenyl)silyl]oxyhept-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

C30H43NO5Si — CID 10744660

About [(E,2R)-7-[tert-butyl(diphenyl)silyl]oxyhept-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

[(E,2R)-7-[tert-butyl(diphenyl)silyl]oxyhept-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 10744660) has the molecular formula C30H43NO5Si and a molecular weight of 525.76 g/mol. Its IUPAC name is [(E,2R)-7-[tert-butyl(diphenyl)silyl]oxyhept-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

• Compound Name: [(E,2R)-7-[tert-butyl(diphenyl)silyl]oxyhept-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
• PubChem CID: 10744660
• Molecular Formula: C30H43NO5Si
• Molecular Weight: 525.76 g/mol
• Exact Mass: 525.29
• IUPAC Name: [(E,2R)-7-[tert-butyl(diphenyl)silyl]oxyhept-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
• SMILES: C[C@H](/C=C/CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC(=O)CNC(=O)OC(C)(C)C
• InChI: InChI=1S/C30H43NO5Si/c1-24(35-27(32)23-31-28(33)36-29(2,3)4)17-11-10-16-22-34-37(30(5,6)7,25-18-12-8-13-19-25)26-20-14-9-15-21-26/h8-9,11-15,17-21,24H,10,16,22-23H2,1-7H3,(H,31,33)/b17-11+/t24-/m1/s1
• InChIKey: WTRPCXGFNISLMU-PMILPSSXSA-N
• XLogP: 5.36
• TPSA: 73.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.76
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(E,2R)-7-[tert-butyl(diphenyl)silyl]oxyhept-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?

The IUPAC name of [(E,2R)-7-[tert-butyl(diphenyl)silyl]oxyhept-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 10744660) is [(E,2R)-7-[tert-butyl(diphenyl)silyl]oxyhept-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

What is the SMILES notation for [(E,2R)-7-[tert-butyl(diphenyl)silyl]oxyhept-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?

The canonical SMILES for [(E,2R)-7-[tert-butyl(diphenyl)silyl]oxyhept-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is C[C@H](/C=C/CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC(=O)CNC(=O)OC(C)(C)C.

What is the InChIKey of [(E,2R)-7-[tert-butyl(diphenyl)silyl]oxyhept-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?

The InChIKey is WTRPCXGFNISLMU-PMILPSSXSA-N. The full InChI is InChI=1S/C30H43NO5Si/c1-24(35-27(32)23-31-28(33)36-29(2,3)4)17-11-10-16-22-34-37(30(5,6)7,25-18-12-8-13-19-25)26-20-14-9-15-21-26/h8-9,11-15,17-21,24H,10,16,22-23H2,1-7H3,(H,31,33)/b17-11+/t24-/m1/s1.

What are the key properties of [(E,2R)-7-[tert-butyl(diphenyl)silyl]oxyhept-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?

[(E,2R)-7-[tert-butyl(diphenyl)silyl]oxyhept-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate has a molecular weight of 525.76 g/mol, XLogP of 5.36, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(E,2R)-7-[tert-butyl(diphenyl)silyl]oxyhept-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 10744660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).