2-(2-ethoxyethoxymethyl)isoindole-1,3-dione

C13H15NO4 — CID 134109727

IUPAC2-(2-ethoxyethoxymethyl)isoindole-1,3-dione
SMILESCCOCCOCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H15NO4/c1-2-17-7-8-18-9-14-12(15)10-5-3-4-6-11(10)13(14)16/h3-6H,2,7-9H2,1H3
InChIKeyYVUFKPNQJZVKLN-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.29
Rot. Bonds6

About 2-(2-ethoxyethoxymethyl)isoindole-1,3-dione

2-(2-ethoxyethoxymethyl)isoindole-1,3-dione (PubChem CID 134109727) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-(2-ethoxyethoxymethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-ethoxyethoxymethyl)isoindole-1,3-dione
PubChem CID134109727
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name2-(2-ethoxyethoxymethyl)isoindole-1,3-dione
SMILESCCOCCOCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H15NO4/c1-2-17-7-8-18-9-14-12(15)10-5-3-4-6-11(10)13(14)16/h3-6H,2,7-9H2,1H3
InChIKeyYVUFKPNQJZVKLN-UHFFFAOYSA-N
XLogP1.29
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione
CID 155179726
2-(1,3-dioxoisoindol-2-yl)-N-(3-ethoxypropyl)acetamide
CID 26776141
2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione
CID 12692562
2-ethoxyethyl 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoate
CID 24518441
2-(3-amino-2-ethoxypropyl)isoindole-1,3-dione
CID 63071392
hydron;2-propylisoindole-1,3-dione
CID 174827386
potassium;2-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]isoindole-1,3-dione;2-[2-(2-ethoxyethoxy)ethoxy]ethyl 4-methylbenzenesulfonate;isoindol-2-ide-1,3-dione
CID 159032020
2-(5-pentoxypentyl)isoindole-1,3-dione
CID 139959537
2-[(3,5-dimethoxyphenoxy)methyl]isoindole-1,3-dione
CID 10852650
(1,3-dioxoisoindol-2-yl)methyl 2-methylpropanoate
CID 164850701
2-[2-[2-(2-bromoethoxy)ethoxy]ethyl]isoindole-1,3-dione
CID 13028612
2-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]isoindole-1,3-dione
CID 156773068

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxymethyl)isoindole-1,3-dione?
The IUPAC name of 2-(2-ethoxyethoxymethyl)isoindole-1,3-dione (CID 134109727) is 2-(2-ethoxyethoxymethyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2-ethoxyethoxymethyl)isoindole-1,3-dione?
The canonical SMILES for 2-(2-ethoxyethoxymethyl)isoindole-1,3-dione is CCOCCOCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(2-ethoxyethoxymethyl)isoindole-1,3-dione?
The InChIKey is YVUFKPNQJZVKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-2-17-7-8-18-9-14-12(15)10-5-3-4-6-11(10)13(14)16/h3-6H,2,7-9H2,1H3.
What are the key properties of 2-(2-ethoxyethoxymethyl)isoindole-1,3-dione?
2-(2-ethoxyethoxymethyl)isoindole-1,3-dione has a molecular weight of 249.27 g/mol, XLogP of 1.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxymethyl)isoindole-1,3-dione is sourced from PubChem (CID 134109727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).