ethoxyethane;tetrakis(1,7,10,23-tetramethyl-8,12,21,25,26,29-hexaoxa-30-azapentacyclo[21.2.2.27,10.12,6.014,19]triaconta-2(30),3,5,14,16,18-hexaene-13,20-dione)

C116H144N4O34 — CID 139039429

IUPACethoxyethane;tetrakis(1,7,10,23-tetramethyl-8,12,21,25,26,29-hexaoxa-30-azapentacyclo[21.2.2.27,10.12,6.014,19]triaconta-2(30),3,5,14,16,18-hexaene-13,20-dione)
SMILESCC12COC(=O)c3ccccc3C(=O)OCC3(C)COC(C)(OC3)c3cccc(n3)C(C)(OC1)OC2.CC12COC(=O)c3ccccc3C(=O)OCC3(C)COC(C)(OC3)c3cccc(n3)C(C)(OC1)OC2.CC12COC(=O)c3ccccc3C(=O)OCC3(C)COC(C)(OC3)c3cccc(n3)C(C)(OC1)OC2.CC12COC(=O)c3ccccc3C(=O)OCC3(C)COC(C)(OC3)c3cccc(n3)C(C)(OC1)OC2.CCOCC.CCOCC
InChIInChI=1S/4C27H31NO8.2C4H10O/c4*1-24-12-31-22(29)18-8-5-6-9-19(18)23(30)32-13-25(2)16-35-27(4,36-17-25)21-11-7-10-20(28-21)26(3,33-14-24)34-15-24;2*1-3-5-4-2/h4*5-11H,12-17H2,1-4H3;2*3-4H2,1-2H3
InChIKeyZFYSWVGEITYLNL-UHFFFAOYSA-N
MW2138.42 g/mol
LogP16.33
Rot. Bonds4

About ethoxyethane;tetrakis(1,7,10,23-tetramethyl-8,12,21,25,26,29-hexaoxa-30-azapentacyclo[21.2.2.27,10.12,6.014,19]triaconta-2(30),3,5,14,16,18-hexaene-13,20-dione)

ethoxyethane;tetrakis(1,7,10,23-tetramethyl-8,12,21,25,26,29-hexaoxa-30-azapentacyclo[21.2.2.27,10.12,6.014,19]triaconta-2(30),3,5,14,16,18-hexaene-13,20-dione) (PubChem CID 139039429) has the molecular formula C116H144N4O34 and a molecular weight of 2138.42 g/mol. Its IUPAC name is ethoxyethane;tetrakis(1,7,10,23-tetramethyl-8,12,21,25,26,29-hexaoxa-30-azapentacyclo[21.2.2.27,10.12,6.014,19]triaconta-2(30),3,5,14,16,18-hexaene-13,20-dione).

Molecular Properties

Compound Nameethoxyethane;tetrakis(1,7,10,23-tetramethyl-8,12,21,25,26,29-hexaoxa-30-azapentacyclo[21.2.2.27,10.12,6.014,19]triaconta-2(30),3,5,14,16,18-hexaene-13,20-dione)
PubChem CID139039429
Molecular FormulaC116H144N4O34
Molecular Weight2138.42 g/mol
Exact Mass2136.97
IUPAC Nameethoxyethane;tetrakis(1,7,10,23-tetramethyl-8,12,21,25,26,29-hexaoxa-30-azapentacyclo[21.2.2.27,10.12,6.014,19]triaconta-2(30),3,5,14,16,18-hexaene-13,20-dione)
SMILESCC12COC(=O)c3ccccc3C(=O)OCC3(C)COC(C)(OC3)c3cccc(n3)C(C)(OC1)OC2.CC12COC(=O)c3ccccc3C(=O)OCC3(C)COC(C)(OC3)c3cccc(n3)C(C)(OC1)OC2.CC12COC(=O)c3ccccc3C(=O)OCC3(C)COC(C)(OC3)c3cccc(n3)C(C)(OC1)OC2.CC12COC(=O)c3ccccc3C(=O)OCC3(C)COC(C)(OC3)c3cccc(n3)C(C)(OC1)OC2.CCOCC.CCOCC
InChIInChI=1S/4C27H31NO8.2C4H10O/c4*1-24-12-31-22(29)18-8-5-6-9-19(18)23(30)32-13-25(2)16-35-27(4,36-17-25)21-11-7-10-20(28-21)26(3,33-14-24)34-15-24;2*1-3-5-4-2/h4*5-11H,12-17H2,1-4H3;2*3-4H2,1-2H3
InChIKeyZFYSWVGEITYLNL-UHFFFAOYSA-N
XLogP16.33
TPSA428.10 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds4
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002138.42
LogP ≤ 516.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze ethoxyethane;tetrakis(1,7,10,23-tetramethyl-8,12,21,25,26,29-hexaoxa-30-azapentacyclo[21.2.2.27,10.12,6.014,19]triaconta-2(30),3,5,14,16,18-hexaene-13,20-dione) with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethoxyethane;tetrakis(1,7,10,23-tetramethyl-8,12,21,25,26,29-hexaoxa-30-azapentacyclo[21.2.2.27,10.12,6.014,19]triaconta-2(30),3,5,14,16,18-hexaene-13,20-dione)?
The IUPAC name of ethoxyethane;tetrakis(1,7,10,23-tetramethyl-8,12,21,25,26,29-hexaoxa-30-azapentacyclo[21.2.2.27,10.12,6.014,19]triaconta-2(30),3,5,14,16,18-hexaene-13,20-dione) (CID 139039429) is ethoxyethane;tetrakis(1,7,10,23-tetramethyl-8,12,21,25,26,29-hexaoxa-30-azapentacyclo[21.2.2.27,10.12,6.014,19]triaconta-2(30),3,5,14,16,18-hexaene-13,20-dione).
What is the SMILES notation for ethoxyethane;tetrakis(1,7,10,23-tetramethyl-8,12,21,25,26,29-hexaoxa-30-azapentacyclo[21.2.2.27,10.12,6.014,19]triaconta-2(30),3,5,14,16,18-hexaene-13,20-dione)?
The canonical SMILES for ethoxyethane;tetrakis(1,7,10,23-tetramethyl-8,12,21,25,26,29-hexaoxa-30-azapentacyclo[21.2.2.27,10.12,6.014,19]triaconta-2(30),3,5,14,16,18-hexaene-13,20-dione) is CC12COC(=O)c3ccccc3C(=O)OCC3(C)COC(C)(OC3)c3cccc(n3)C(C)(OC1)OC2.CC12COC(=O)c3ccccc3C(=O)OCC3(C)COC(C)(OC3)c3cccc(n3)C(C)(OC1)OC2.CC12COC(=O)c3ccccc3C(=O)OCC3(C)COC(C)(OC3)c3cccc(n3)C(C)(OC1)OC2.CC12COC(=O)c3ccccc3C(=O)OCC3(C)COC(C)(OC3)c3cccc(n3)C(C)(OC1)OC2.CCOCC.CCOCC.
What is the InChIKey of ethoxyethane;tetrakis(1,7,10,23-tetramethyl-8,12,21,25,26,29-hexaoxa-30-azapentacyclo[21.2.2.27,10.12,6.014,19]triaconta-2(30),3,5,14,16,18-hexaene-13,20-dione)?
The InChIKey is ZFYSWVGEITYLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/4C27H31NO8.2C4H10O/c4*1-24-12-31-22(29)18-8-5-6-9-19(18)23(30)32-13-25(2)16-35-27(4,36-17-25)21-11-7-10-20(28-21)26(3,33-14-24)34-15-24;2*1-3-5-4-2/h4*5-11H,12-17H2,1-4H3;2*3-4H2,1-2H3.
What are the key properties of ethoxyethane;tetrakis(1,7,10,23-tetramethyl-8,12,21,25,26,29-hexaoxa-30-azapentacyclo[21.2.2.27,10.12,6.014,19]triaconta-2(30),3,5,14,16,18-hexaene-13,20-dione)?
ethoxyethane;tetrakis(1,7,10,23-tetramethyl-8,12,21,25,26,29-hexaoxa-30-azapentacyclo[21.2.2.27,10.12,6.014,19]triaconta-2(30),3,5,14,16,18-hexaene-13,20-dione) has a molecular weight of 2138.42 g/mol, XLogP of 16.33, 4 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;tetrakis(1,7,10,23-tetramethyl-8,12,21,25,26,29-hexaoxa-30-azapentacyclo[21.2.2.27,10.12,6.014,19]triaconta-2(30),3,5,14,16,18-hexaene-13,20-dione) is sourced from PubChem (CID 139039429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).