[(Z)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

C29H41NO5Si — CID 56650144

About [(Z)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

[(Z)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 56650144) has the molecular formula C29H41NO5Si and a molecular weight of 511.74 g/mol. Its IUPAC name is [(Z)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

• Compound Name: [(Z)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
• PubChem CID: 56650144
• Molecular Formula: C29H41NO5Si
• Molecular Weight: 511.74 g/mol
• Exact Mass: 511.28
• IUPAC Name: [(Z)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
• SMILES: C/C=C(/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)OC(=O)CNC(=O)OC(C)(C)C
• InChI: InChI=1S/C29H41NO5Si/c1-9-23(22(2)34-26(31)20-30-27(32)35-28(3,4)5)21-33-36(29(6,7)8,24-16-12-10-13-17-24)25-18-14-11-15-19-25/h9-19,22H,20-21H2,1-8H3,(H,30,32)/b23-9-
• InChIKey: QACJSMAPGWEREX-AQHIEDMUSA-N
• XLogP: 4.97
• TPSA: 73.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.74
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?

The IUPAC name of [(Z)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 56650144) is [(Z)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

What is the SMILES notation for [(Z)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?

The canonical SMILES for [(Z)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is C/C=C(/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)OC(=O)CNC(=O)OC(C)(C)C.

What is the InChIKey of [(Z)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?

The InChIKey is QACJSMAPGWEREX-AQHIEDMUSA-N. The full InChI is InChI=1S/C29H41NO5Si/c1-9-23(22(2)34-26(31)20-30-27(32)35-28(3,4)5)21-33-36(29(6,7)8,24-16-12-10-13-17-24)25-18-14-11-15-19-25/h9-19,22H,20-21H2,1-8H3,(H,30,32)/b23-9-.

What are the key properties of [(Z)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?

[(Z)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate has a molecular weight of 511.74 g/mol, XLogP of 4.97, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(Z)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 56650144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).