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

C33H49NO5Si — CID 56650480

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

[(E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]non-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 56650480) has the molecular formula C33H49NO5Si and a molecular weight of 567.84 g/mol. Its IUPAC name is [(E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]non-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

• Compound Name: [(E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]non-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
• PubChem CID: 56650480
• Molecular Formula: C33H49NO5Si
• Molecular Weight: 567.84 g/mol
• Exact Mass: 567.34
• IUPAC Name: [(E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]non-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
• SMILES: CCCCC/C=C(\CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)OC(=O)CNC(=O)OC(C)(C)C
• InChI: InChI=1S/C33H49NO5Si/c1-9-10-11-14-19-27(26(2)38-30(35)24-34-31(36)39-32(3,4)5)25-37-40(33(6,7)8,28-20-15-12-16-21-28)29-22-17-13-18-23-29/h12-13,15-23,26H,9-11,14,24-25H2,1-8H3,(H,34,36)/b27-19+
• InChIKey: RACXYESPQULZFC-ZXVVBBHZSA-N
• XLogP: 6.53
• TPSA: 73.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.84
LogP ≤ 5	6.53
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)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]non-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?

The IUPAC name of [(E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]non-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 56650480) is [(E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]non-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

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

The canonical SMILES for [(E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]non-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is CCCCC/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 [(E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]non-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?

The InChIKey is RACXYESPQULZFC-ZXVVBBHZSA-N. The full InChI is InChI=1S/C33H49NO5Si/c1-9-10-11-14-19-27(26(2)38-30(35)24-34-31(36)39-32(3,4)5)25-37-40(33(6,7)8,28-20-15-12-16-21-28)29-22-17-13-18-23-29/h12-13,15-23,26H,9-11,14,24-25H2,1-8H3,(H,34,36)/b27-19+.

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

[(E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]non-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate has a molecular weight of 567.84 g/mol, XLogP of 6.53, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]non-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 56650480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).