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

C32H48N2O8 — CID 170976079

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

ethyl 2-[2-[4-[2-[2-[[4-hydroxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]acetate (PubChem CID 170976079) has the molecular formula C32H48N2O8 and a molecular weight of 588.74 g/mol. Its IUPAC name is ethyl 2-[2-[4-[2-[2-[[4-hydroxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]acetate.

Molecular Properties

• Compound Name: ethyl 2-[2-[4-[2-[2-[[4-hydroxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]acetate
• PubChem CID: 170976079
• Molecular Formula: C32H48N2O8
• Molecular Weight: 588.74 g/mol
• Exact Mass: 588.34
• IUPAC Name: ethyl 2-[2-[4-[2-[2-[[4-hydroxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]acetate
• SMILES: CCOC(=O)COCCN1CCN(CCOCCOC2CCC3(CC2)OC(=O)C(c2c(C)cc(C)cc2C)=C3O)CC1
• InChI: InChI=1S/C32H48N2O8/c1-5-40-27(35)22-39-17-15-34-12-10-33(11-13-34)14-16-38-18-19-41-26-6-8-32(9-7-26)30(36)29(31(37)42-32)28-24(3)20-23(2)21-25(28)4/h20-21,26,36H,5-19,22H2,1-4H3
• InChIKey: LTISSFZQCKSJFS-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 107.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	588.74
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of ethyl 2-[2-[4-[2-[2-[[4-hydroxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]acetate (CID 170976079) is ethyl 2-[2-[4-[2-[2-[[4-hydroxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]acetate.

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

The canonical SMILES for ethyl 2-[2-[4-[2-[2-[[4-hydroxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]acetate is CCOC(=O)COCCN1CCN(CCOCCOC2CCC3(CC2)OC(=O)C(c2c(C)cc(C)cc2C)=C3O)CC1.

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

The InChIKey is LTISSFZQCKSJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48N2O8/c1-5-40-27(35)22-39-17-15-34-12-10-33(11-13-34)14-16-38-18-19-41-26-6-8-32(9-7-26)30(36)29(31(37)42-32)28-24(3)20-23(2)21-25(28)4/h20-21,26,36H,5-19,22H2,1-4H3.

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

ethyl 2-[2-[4-[2-[2-[[4-hydroxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]acetate has a molecular weight of 588.74 g/mol, XLogP of 3.35, 14 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[2-[4-[2-[2-[[4-hydroxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-8-yl]oxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]acetate is sourced from PubChem (CID 170976079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).