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

C14H23NO7 — CID 15638976

IUPAC1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCOCCOCCOCCOCCO
InChIInChI=1S/C14H23NO7/c16-4-6-20-8-10-22-12-11-21-9-7-19-5-3-15-13(17)1-2-14(15)18/h1-2,16H,3-12H2
InChIKeyDNTLCLPYCNBCHS-UHFFFAOYSA-N
MW317.34 g/mol
LogP-1.03
Rot. Bonds14

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

1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione (PubChem CID 15638976) has the molecular formula C14H23NO7 and a molecular weight of 317.34 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
PubChem CID15638976
Molecular FormulaC14H23NO7
Molecular Weight317.34 g/mol
Exact Mass317.15
IUPAC Name1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCOCCOCCOCCOCCO
InChIInChI=1S/C14H23NO7/c16-4-6-20-8-10-22-12-11-21-9-7-19-5-3-15-13(17)1-2-14(15)18/h1-2,16H,3-12H2
InChIKeyDNTLCLPYCNBCHS-UHFFFAOYSA-N
XLogP-1.03
TPSA94.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione (CID 15638976) is 1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CCOCCOCCOCCOCCO.
What is the InChIKey of 1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione?
The InChIKey is DNTLCLPYCNBCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO7/c16-4-6-20-8-10-22-12-11-21-9-7-19-5-3-15-13(17)1-2-14(15)18/h1-2,16H,3-12H2.
What are the key properties of 1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione?
1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione has a molecular weight of 317.34 g/mol, XLogP of -1.03, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 15638976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).