1-[2-[2-[2-[2-[[3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-bicyclo[1.1.1]pentanyl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione

C31H46N2O12 — CID 168985617

IUPAC1-[2-[2-[2-[2-[[3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-bicyclo[1.1.1]pentanyl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCOCCOCCOCCOCC12CC(COCCOCCOCCOCCN3C(=O)C=CC3=O)(C1)C2
InChIInChI=1S/C31H46N2O12/c34-26-1-2-27(35)32(26)5-7-38-9-11-40-13-15-42-17-19-44-24-30-21-31(22-30,23-30)25-45-20-18-43-16-14-41-12-10-39-8-6-33-28(36)3-4-29(33)37/h1-4H,5-25H2
InChIKeyUTCABUPFVVJAQX-UHFFFAOYSA-N
MW638.71 g/mol
LogP0.14
Rot. Bonds28

About 1-[2-[2-[2-[2-[[3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-bicyclo[1.1.1]pentanyl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione

1-[2-[2-[2-[2-[[3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-bicyclo[1.1.1]pentanyl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione (PubChem CID 168985617) has the molecular formula C31H46N2O12 and a molecular weight of 638.71 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-[[3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-bicyclo[1.1.1]pentanyl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-[2-[2-[2-[[3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-bicyclo[1.1.1]pentanyl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
PubChem CID168985617
Molecular FormulaC31H46N2O12
Molecular Weight638.71 g/mol
Exact Mass638.31
IUPAC Name1-[2-[2-[2-[2-[[3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-bicyclo[1.1.1]pentanyl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCOCCOCCOCCOCC12CC(COCCOCCOCCOCCN3C(=O)C=CC3=O)(C1)C2
InChIInChI=1S/C31H46N2O12/c34-26-1-2-27(35)32(26)5-7-38-9-11-40-13-15-42-17-19-44-24-30-21-31(22-30,23-30)25-45-20-18-43-16-14-41-12-10-39-8-6-33-28(36)3-4-29(33)37/h1-4H,5-25H2
InChIKeyUTCABUPFVVJAQX-UHFFFAOYSA-N
XLogP0.14
TPSA148.60 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds28
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.71
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1-[2-[2-[2-[2-[[3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-bicyclo[1.1.1]pentanyl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-[[3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-bicyclo[1.1.1]pentanyl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-[2-[2-[2-[[3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-bicyclo[1.1.1]pentanyl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione (CID 168985617) is 1-[2-[2-[2-[2-[[3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-bicyclo[1.1.1]pentanyl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-[2-[2-[2-[[3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-bicyclo[1.1.1]pentanyl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-[2-[2-[2-[[3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-bicyclo[1.1.1]pentanyl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CCOCCOCCOCCOCC12CC(COCCOCCOCCOCCN3C(=O)C=CC3=O)(C1)C2.
What is the InChIKey of 1-[2-[2-[2-[2-[[3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-bicyclo[1.1.1]pentanyl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione?
The InChIKey is UTCABUPFVVJAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H46N2O12/c34-26-1-2-27(35)32(26)5-7-38-9-11-40-13-15-42-17-19-44-24-30-21-31(22-30,23-30)25-45-20-18-43-16-14-41-12-10-39-8-6-33-28(36)3-4-29(33)37/h1-4H,5-25H2.
What are the key properties of 1-[2-[2-[2-[2-[[3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-bicyclo[1.1.1]pentanyl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione?
1-[2-[2-[2-[2-[[3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-bicyclo[1.1.1]pentanyl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione has a molecular weight of 638.71 g/mol, XLogP of 0.14, 28 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-[[3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxymethyl]-1-bicyclo[1.1.1]pentanyl]methoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 168985617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).