2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl 2-ethoxyacetate

C14H21NO7 — CID 19880621

IUPAC2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl 2-ethoxyacetate
SMILESCCOCC(=O)OCCOCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C14H21NO7/c1-2-19-11-14(18)22-10-9-21-8-7-20-6-5-15-12(16)3-4-13(15)17/h3-4H,2,5-11H2,1H3
InChIKeyDLQYYTPHXPQLTQ-UHFFFAOYSA-N
MW315.32 g/mol
LogP-0.48
Rot. Bonds12

About 2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl 2-ethoxyacetate

2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl 2-ethoxyacetate (PubChem CID 19880621) has the molecular formula C14H21NO7 and a molecular weight of 315.32 g/mol. Its IUPAC name is 2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl 2-ethoxyacetate.

Molecular Properties

Compound Name2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl 2-ethoxyacetate
PubChem CID19880621
Molecular FormulaC14H21NO7
Molecular Weight315.32 g/mol
Exact Mass315.13
IUPAC Name2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl 2-ethoxyacetate
SMILESCCOCC(=O)OCCOCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C14H21NO7/c1-2-19-11-14(18)22-10-9-21-8-7-20-6-5-15-12(16)3-4-13(15)17/h3-4H,2,5-11H2,1H3
InChIKeyDLQYYTPHXPQLTQ-UHFFFAOYSA-N
XLogP-0.48
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
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 2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl 2-ethoxyacetate?
The IUPAC name of 2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl 2-ethoxyacetate (CID 19880621) is 2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl 2-ethoxyacetate.
What is the SMILES notation for 2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl 2-ethoxyacetate?
The canonical SMILES for 2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl 2-ethoxyacetate is CCOCC(=O)OCCOCCOCCN1C(=O)C=CC1=O.
What is the InChIKey of 2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl 2-ethoxyacetate?
The InChIKey is DLQYYTPHXPQLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO7/c1-2-19-11-14(18)22-10-9-21-8-7-20-6-5-15-12(16)3-4-13(15)17/h3-4H,2,5-11H2,1H3.
What are the key properties of 2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl 2-ethoxyacetate?
2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl 2-ethoxyacetate has a molecular weight of 315.32 g/mol, XLogP of -0.48, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl 2-ethoxyacetate is sourced from PubChem (CID 19880621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).