1-[6-[3-(2-methoxyethoxy)-2-(2-methoxyethoxymethyl)propoxy]-3-oxohexyl]pyrrole-2,5-dione

C20H33NO8 — CID 159367855

IUPAC1-[6-[3-(2-methoxyethoxy)-2-(2-methoxyethoxymethyl)propoxy]-3-oxohexyl]pyrrole-2,5-dione
SMILESCOCCOCC(COCCCC(=O)CCN1C(=O)C=CC1=O)COCCOC
InChIInChI=1S/C20H33NO8/c1-25-10-12-28-15-17(16-29-13-11-26-2)14-27-9-3-4-18(22)7-8-21-19(23)5-6-20(21)24/h5-6,17H,3-4,7-16H2,1-2H3
InChIKeyPJMOUZAUJCWDOP-UHFFFAOYSA-N
MW415.48 g/mol
LogP0.61
Rot. Bonds19

About 1-[6-[3-(2-methoxyethoxy)-2-(2-methoxyethoxymethyl)propoxy]-3-oxohexyl]pyrrole-2,5-dione

1-[6-[3-(2-methoxyethoxy)-2-(2-methoxyethoxymethyl)propoxy]-3-oxohexyl]pyrrole-2,5-dione (PubChem CID 159367855) has the molecular formula C20H33NO8 and a molecular weight of 415.48 g/mol. Its IUPAC name is 1-[6-[3-(2-methoxyethoxy)-2-(2-methoxyethoxymethyl)propoxy]-3-oxohexyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[6-[3-(2-methoxyethoxy)-2-(2-methoxyethoxymethyl)propoxy]-3-oxohexyl]pyrrole-2,5-dione
PubChem CID159367855
Molecular FormulaC20H33NO8
Molecular Weight415.48 g/mol
Exact Mass415.22
IUPAC Name1-[6-[3-(2-methoxyethoxy)-2-(2-methoxyethoxymethyl)propoxy]-3-oxohexyl]pyrrole-2,5-dione
SMILESCOCCOCC(COCCCC(=O)CCN1C(=O)C=CC1=O)COCCOC
InChIInChI=1S/C20H33NO8/c1-25-10-12-28-15-17(16-29-13-11-26-2)14-27-9-3-4-18(22)7-8-21-19(23)5-6-20(21)24/h5-6,17H,3-4,7-16H2,1-2H3
InChIKeyPJMOUZAUJCWDOP-UHFFFAOYSA-N
XLogP0.61
TPSA100.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 50.61
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

3-(2,5-dioxopyrrol-1-yl)propanoic acid;methane;1-[6-[3-(2-methoxyethoxy)-2-(2-methoxyethoxymethyl)propoxy]-3-oxohexyl]pyrrole-2,5-dione
CID 159367854
1-[6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,28-dioxononacosoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxohexyl]pyrrole-2,5-dione
CID 123169604
N-[1,3-bis(6-methoxy-3-oxohexoxy)-2-[(6-methoxy-3-oxohexoxy)methyl]propan-2-yl]-3-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]propanamide
CID 167642543
3-[2-[2-[2-[2-[2-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 162034103
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 162034105
3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-methoxyethoxy)propyl]propanamide;methane
CID 172871711
2-[2-[2-[9-(2,5-dioxopyrrol-1-yl)-4-oxononoxy]ethoxy]ethoxy]acetic acid
CID 158949468
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 160762335
methane;1-[2-(2-methoxyethoxy)ethyl]pyrrole-2,5-dione
CID 158080299
[2-[7-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-4-oxoheptoxy]-3-[2-(2-methoxyethoxy)ethylcarbamoyloxy]propyl] 4-(2-methoxyethoxy)butanoate
CID 58242283
N-[3-[3-[2-[2,3-bis(2-methoxyethoxy)propoxy]ethoxy]-2-[2-[2-(2-hydroxyethoxy)-3-(2-methoxyethoxy)propoxy]ethoxy]propoxy]propyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 169032223
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propanamide
CID 71242767

Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-(2-methoxyethoxy)-2-(2-methoxyethoxymethyl)propoxy]-3-oxohexyl]pyrrole-2,5-dione?
The IUPAC name of 1-[6-[3-(2-methoxyethoxy)-2-(2-methoxyethoxymethyl)propoxy]-3-oxohexyl]pyrrole-2,5-dione (CID 159367855) is 1-[6-[3-(2-methoxyethoxy)-2-(2-methoxyethoxymethyl)propoxy]-3-oxohexyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[6-[3-(2-methoxyethoxy)-2-(2-methoxyethoxymethyl)propoxy]-3-oxohexyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[6-[3-(2-methoxyethoxy)-2-(2-methoxyethoxymethyl)propoxy]-3-oxohexyl]pyrrole-2,5-dione is COCCOCC(COCCCC(=O)CCN1C(=O)C=CC1=O)COCCOC.
What is the InChIKey of 1-[6-[3-(2-methoxyethoxy)-2-(2-methoxyethoxymethyl)propoxy]-3-oxohexyl]pyrrole-2,5-dione?
The InChIKey is PJMOUZAUJCWDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO8/c1-25-10-12-28-15-17(16-29-13-11-26-2)14-27-9-3-4-18(22)7-8-21-19(23)5-6-20(21)24/h5-6,17H,3-4,7-16H2,1-2H3.
What are the key properties of 1-[6-[3-(2-methoxyethoxy)-2-(2-methoxyethoxymethyl)propoxy]-3-oxohexyl]pyrrole-2,5-dione?
1-[6-[3-(2-methoxyethoxy)-2-(2-methoxyethoxymethyl)propoxy]-3-oxohexyl]pyrrole-2,5-dione has a molecular weight of 415.48 g/mol, XLogP of 0.61, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[3-(2-methoxyethoxy)-2-(2-methoxyethoxymethyl)propoxy]-3-oxohexyl]pyrrole-2,5-dione is sourced from PubChem (CID 159367855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).