(1,3-dioxoisoindol-2-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

C34H55NO16 — CID 176989880

IUPAC(1,3-dioxoisoindol-2-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C34H55NO16/c1-39-8-9-41-12-13-43-16-17-45-20-21-47-24-25-49-28-29-50-27-26-48-23-22-46-19-18-44-15-14-42-11-10-40-7-6-32(36)51-35-33(37)30-4-2-3-5-31(30)34(35)38/h2-5H,6-29H2,1H3
InChIKeyYICNEKGLEGCBHP-UHFFFAOYSA-N
MW733.80 g/mol
LogP0.96
Rot. Bonds37

About (1,3-dioxoisoindol-2-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

(1,3-dioxoisoindol-2-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate (PubChem CID 176989880) has the molecular formula C34H55NO16 and a molecular weight of 733.80 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
PubChem CID176989880
Molecular FormulaC34H55NO16
Molecular Weight733.80 g/mol
Exact Mass733.35
IUPAC Name(1,3-dioxoisoindol-2-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C34H55NO16/c1-39-8-9-41-12-13-43-16-17-45-20-21-47-24-25-49-28-29-50-27-26-48-23-22-46-19-18-44-15-14-42-11-10-40-7-6-32(36)51-35-33(37)30-4-2-3-5-31(30)34(35)38/h2-5H,6-29H2,1H3
InChIKeyYICNEKGLEGCBHP-UHFFFAOYSA-N
XLogP0.96
TPSA174.44 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds37
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.80
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze (1,3-dioxoisoindol-2-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate with MolForge

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Related Compounds

N-Carbethoxyphthalimide
CID 31187
Methyl ((1,3-dioxo-1,3-dihydro-2H-isoindol-2-YL)oxy)acetate
CID 748410
N-(Ethoxycarbonyloxy)phthalimide
CID 828043
1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl acetate
CID 265566
1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl 2,2-dimethylpropanoate
CID 789654
2-[2-[2-(2-Bromoethoxy)ethoxy]ethoxy]isoindole-1,3-dione
CID 2141752
ethyl N-phthalimidoxyacetate
CID 192808
2-[2-(2-{2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)oxy]ethoxy}ethoxy)ethoxy]-1H-isoindole-1,3(2H)-dione
CID 653700
1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 2-methylpropanoate
CID 21933424
1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl propanoate
CID 21933431
1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl prop-2-enoate
CID 23194993
1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl oxane-4-carboxylate
CID 138969221

Frequently Asked Questions

What is the IUPAC name of (1,3-dioxoisoindol-2-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?
The IUPAC name of (1,3-dioxoisoindol-2-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate (CID 176989880) is (1,3-dioxoisoindol-2-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?
The canonical SMILES for (1,3-dioxoisoindol-2-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate is COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON1C(=O)c2ccccc2C1=O.
What is the InChIKey of (1,3-dioxoisoindol-2-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?
The InChIKey is YICNEKGLEGCBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H55NO16/c1-39-8-9-41-12-13-43-16-17-45-20-21-47-24-25-49-28-29-50-27-26-48-23-22-46-19-18-44-15-14-42-11-10-40-7-6-32(36)51-35-33(37)30-4-2-3-5-31(30)34(35)38/h2-5H,6-29H2,1H3.
What are the key properties of (1,3-dioxoisoindol-2-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?
(1,3-dioxoisoindol-2-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate has a molecular weight of 733.80 g/mol, XLogP of 0.96, 37 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoisoindol-2-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate is sourced from PubChem (CID 176989880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).