2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione

C26H28N2O8 — CID 12692562

IUPAC2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCOCCOCCOCCOCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C26H28N2O8/c29-23-19-5-1-2-6-20(19)24(30)27(23)9-11-33-13-15-35-17-18-36-16-14-34-12-10-28-25(31)21-7-3-4-8-22(21)26(28)32/h1-8H,9-18H2
InChIKeyPRDFLWUHKYWOHD-UHFFFAOYSA-N
MW496.52 g/mol
LogP1.65
Rot. Bonds15

About 2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione

2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione (PubChem CID 12692562) has the molecular formula C26H28N2O8 and a molecular weight of 496.52 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione
PubChem CID12692562
Molecular FormulaC26H28N2O8
Molecular Weight496.52 g/mol
Exact Mass496.18
IUPAC Name2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCOCCOCCOCCOCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C26H28N2O8/c29-23-19-5-1-2-6-20(19)24(30)27(23)9-11-33-13-15-35-17-18-36-16-14-34-12-10-28-25(31)21-7-3-4-8-22(21)26(28)32/h1-8H,9-18H2
InChIKeyPRDFLWUHKYWOHD-UHFFFAOYSA-N
XLogP1.65
TPSA111.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.52
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-bromoethoxy)ethoxy]ethyl]isoindole-1,3-dione
CID 13028612
2-[2-[2-(2-fluoroethoxy)ethoxy]ethyl]isoindole-1,3-dione
CID 156773068
2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethyl hypoiodite
CID 143275850
2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione
CID 155179726
2-[2-(2-phenylmethoxyethoxy)ethyl]isoindole-1,3-dione
CID 51354396
3-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]propanoic acid
CID 14462388
2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethyl acetate
CID 16720658
2-(2-hydroperoxyethyl)isoindole-1,3-dione
CID 144780934
tert-butyl 3-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]propanoate
CID 134839808
2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethyl-(2-hydroxyethyl)-dimethylazanium
CID 118588562
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-(2-propan-2-yloxyethyl)isoindole-1,3-dione
CID 58120400

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione (CID 12692562) is 2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCOCCOCCOCCOCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione?
The InChIKey is PRDFLWUHKYWOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O8/c29-23-19-5-1-2-6-20(19)24(30)27(23)9-11-33-13-15-35-17-18-36-16-14-34-12-10-28-25(31)21-7-3-4-8-22(21)26(28)32/h1-8H,9-18H2.
What are the key properties of 2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione?
2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione has a molecular weight of 496.52 g/mol, XLogP of 1.65, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 12692562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).