tert-butyl 2-[2-[2-[4-[2-[2-[[2-oxo-4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]acetate

C43H62N2O9 — CID 170976170

About tert-butyl 2-[2-[2-[4-[2-[2-[[2-oxo-4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]acetate

tert-butyl 2-[2-[2-[4-[2-[2-[[2-oxo-4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]acetate (PubChem CID 170976170) has the molecular formula C43H62N2O9 and a molecular weight of 750.97 g/mol. Its IUPAC name is tert-butyl 2-[2-[2-[4-[2-[2-[[2-oxo-4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]acetate.

Molecular Properties

• Compound Name: tert-butyl 2-[2-[2-[4-[2-[2-[[2-oxo-4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]acetate
• PubChem CID: 170976170
• Molecular Formula: C43H62N2O9
• Molecular Weight: 750.97 g/mol
• Exact Mass: 750.45
• IUPAC Name: tert-butyl 2-[2-[2-[4-[2-[2-[[2-oxo-4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]acetate
• SMILES: Cc1cc(C)c(C2=C(OCc3ccccc3)C3(CCC(OCCOCCN4CCN(CCOCCOCC(=O)OC(C)(C)C)CC4)CC3)OC2=O)c(C)c1
• InChI: InChI=1S/C43H62N2O9/c1-32-28-33(2)38(34(3)29-32)39-40(52-30-35-10-8-7-9-11-35)43(54-41(39)47)14-12-36(13-15-43)51-27-26-49-23-21-45-18-16-44(17-19-45)20-22-48-24-25-50-31-37(46)53-42(4,5)6/h7-11,28-29,36H,12-27,30-31H2,1-6H3
• InChIKey: NHCVSVPDHNIPEZ-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 105.23 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 19
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	750.97
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[2-[4-[2-[2-[[2-oxo-4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]acetate?

The IUPAC name of tert-butyl 2-[2-[2-[4-[2-[2-[[2-oxo-4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]acetate (CID 170976170) is tert-butyl 2-[2-[2-[4-[2-[2-[[2-oxo-4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]acetate.

What is the SMILES notation for tert-butyl 2-[2-[2-[4-[2-[2-[[2-oxo-4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]acetate?

The canonical SMILES for tert-butyl 2-[2-[2-[4-[2-[2-[[2-oxo-4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]acetate is Cc1cc(C)c(C2=C(OCc3ccccc3)C3(CCC(OCCOCCN4CCN(CCOCCOCC(=O)OC(C)(C)C)CC4)CC3)OC2=O)c(C)c1.

What is the InChIKey of tert-butyl 2-[2-[2-[4-[2-[2-[[2-oxo-4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]acetate?

The InChIKey is NHCVSVPDHNIPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H62N2O9/c1-32-28-33(2)38(34(3)29-32)39-40(52-30-35-10-8-7-9-11-35)43(54-41(39)47)14-12-36(13-15-43)51-27-26-49-23-21-45-18-16-44(17-19-45)20-22-48-24-25-50-31-37(46)53-42(4,5)6/h7-11,28-29,36H,12-27,30-31H2,1-6H3.

What are the key properties of tert-butyl 2-[2-[2-[4-[2-[2-[[2-oxo-4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]acetate?

tert-butyl 2-[2-[2-[4-[2-[2-[[2-oxo-4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]acetate has a molecular weight of 750.97 g/mol, XLogP of 5.80, 19 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[2-[2-[4-[2-[2-[[2-oxo-4-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]acetate is sourced from PubChem (CID 170976170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).