1-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione

C20H33NO9 — CID 139443419

IUPAC1-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
SMILESCC(=O)CCOCCOCCOCCOCCOCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C20H33NO9/c1-18(22)4-6-25-8-10-27-12-14-29-16-17-30-15-13-28-11-9-26-7-5-21-19(23)2-3-20(21)24/h2-3H,4-17H2,1H3
InChIKeyUOJGFFOHSZLXED-UHFFFAOYSA-N
MW431.48 g/mol
LogP-0.01
Rot. Bonds21

About 1-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione

1-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione (PubChem CID 139443419) has the molecular formula C20H33NO9 and a molecular weight of 431.48 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
PubChem CID139443419
Molecular FormulaC20H33NO9
Molecular Weight431.48 g/mol
Exact Mass431.22
IUPAC Name1-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
SMILESCC(=O)CCOCCOCCOCCOCCOCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C20H33NO9/c1-18(22)4-6-25-8-10-27-12-14-29-16-17-30-15-13-28-11-9-26-7-5-21-19(23)2-3-20(21)24/h2-3H,4-17H2,1H3
InChIKeyUOJGFFOHSZLXED-UHFFFAOYSA-N
XLogP-0.01
TPSA109.83 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.48
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione (CID 139443419) is 1-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione is CC(=O)CCOCCOCCOCCOCCOCCOCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione?
The InChIKey is UOJGFFOHSZLXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO9/c1-18(22)4-6-25-8-10-27-12-14-29-16-17-30-15-13-28-11-9-26-7-5-21-19(23)2-3-20(21)24/h2-3H,4-17H2,1H3.
What are the key properties of 1-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione?
1-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione has a molecular weight of 431.48 g/mol, XLogP of -0.01, 21 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 139443419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).