1-[6-(methoxymethoxy)hexyl]pyrrole-2,5-dione

C12H19NO4 — CID 59811762

IUPAC1-[6-(methoxymethoxy)hexyl]pyrrole-2,5-dione
SMILESCOCOCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C12H19NO4/c1-16-10-17-9-5-3-2-4-8-13-11(14)6-7-12(13)15/h6-7H,2-5,8-10H2,1H3
InChIKeyXFGKRKNLWHVWQX-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.09
Rot. Bonds9

About 1-[6-(methoxymethoxy)hexyl]pyrrole-2,5-dione

1-[6-(methoxymethoxy)hexyl]pyrrole-2,5-dione (PubChem CID 59811762) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-[6-(methoxymethoxy)hexyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[6-(methoxymethoxy)hexyl]pyrrole-2,5-dione
PubChem CID59811762
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name1-[6-(methoxymethoxy)hexyl]pyrrole-2,5-dione
SMILESCOCOCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C12H19NO4/c1-16-10-17-9-5-3-2-4-8-13-11(14)6-7-12(13)15/h6-7H,2-5,8-10H2,1H3
InChIKeyXFGKRKNLWHVWQX-UHFFFAOYSA-N
XLogP1.09
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-[6-(methoxymethoxy)hexyl]pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Maleimidobutyraldehyde diethylacetal
CID 21829818
1-[3-(Methoxymethoxy)propyl]pyrrole-2,5-dione
CID 58601514
1-(6-Ethoxyhexyl)pyrrole-2,5-dione
CID 59811731
1-[4-(Methoxymethoxy)butyl]pyrrole-2,5-dione
CID 59811752
1-(1-Ethoxyhexyl)pyrrole-2,5-dione
CID 69258138
1-[6-(Thionitrosooxymethoxy)hexyl]pyrrole-2,5-dione
CID 88878986
1-(4,4-Dipropoxybutyl)pyrrole-2,5-dione
CID 89220234
2,2-Dimethylpropanoyloxymethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 117627446
Acetyloxymethyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 117627745
2-Methylpropoxycarbonyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 118219336
1-(6-Methoxyhexyl)pyrrole-2,5-dione
CID 118460814
1-(6-Hexoxyhexyl)pyrrole-2,5-dione
CID 134295431

Frequently Asked Questions

What is the IUPAC name of 1-[6-(methoxymethoxy)hexyl]pyrrole-2,5-dione?
The IUPAC name of 1-[6-(methoxymethoxy)hexyl]pyrrole-2,5-dione (CID 59811762) is 1-[6-(methoxymethoxy)hexyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[6-(methoxymethoxy)hexyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[6-(methoxymethoxy)hexyl]pyrrole-2,5-dione is COCOCCCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-[6-(methoxymethoxy)hexyl]pyrrole-2,5-dione?
The InChIKey is XFGKRKNLWHVWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-16-10-17-9-5-3-2-4-8-13-11(14)6-7-12(13)15/h6-7H,2-5,8-10H2,1H3.
What are the key properties of 1-[6-(methoxymethoxy)hexyl]pyrrole-2,5-dione?
1-[6-(methoxymethoxy)hexyl]pyrrole-2,5-dione has a molecular weight of 241.29 g/mol, XLogP of 1.09, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(methoxymethoxy)hexyl]pyrrole-2,5-dione is sourced from PubChem (CID 59811762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).