benzene;methoxymethane;bis(1-methylpyrrole-2,5-dione)

C24H28N2O5 — CID 158479475

IUPACbenzene;methoxymethane;bis(1-methylpyrrole-2,5-dione)
SMILESCN1C(=O)C=CC1=O.CN1C(=O)C=CC1=O.COC.c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.2C5H5NO2.C2H6O/c2*1-2-4-6-5-3-1;2*1-6-4(7)2-3-5(6)8;1-3-2/h2*1-6H;2*2-3H,1H3;1-2H3
InChIKeyHHIOXBQAXOHTPY-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.72
Rot. Bonds

About benzene;methoxymethane;bis(1-methylpyrrole-2,5-dione)

benzene;methoxymethane;bis(1-methylpyrrole-2,5-dione) (PubChem CID 158479475) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is benzene;methoxymethane;bis(1-methylpyrrole-2,5-dione).

Molecular Properties

Compound Namebenzene;methoxymethane;bis(1-methylpyrrole-2,5-dione)
PubChem CID158479475
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Namebenzene;methoxymethane;bis(1-methylpyrrole-2,5-dione)
SMILESCN1C(=O)C=CC1=O.CN1C(=O)C=CC1=O.COC.c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.2C5H5NO2.C2H6O/c2*1-2-4-6-5-3-1;2*1-6-4(7)2-3-5(6)8;1-3-2/h2*1-6H;2*2-3H,1H3;1-2H3
InChIKeyHHIOXBQAXOHTPY-UHFFFAOYSA-N
XLogP2.72
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene;methoxymethane;bis(1-methylpyrrole-2,5-dione)?
The IUPAC name of benzene;methoxymethane;bis(1-methylpyrrole-2,5-dione) (CID 158479475) is benzene;methoxymethane;bis(1-methylpyrrole-2,5-dione).
What is the SMILES notation for benzene;methoxymethane;bis(1-methylpyrrole-2,5-dione)?
The canonical SMILES for benzene;methoxymethane;bis(1-methylpyrrole-2,5-dione) is CN1C(=O)C=CC1=O.CN1C(=O)C=CC1=O.COC.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;methoxymethane;bis(1-methylpyrrole-2,5-dione)?
The InChIKey is HHIOXBQAXOHTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6.2C5H5NO2.C2H6O/c2*1-2-4-6-5-3-1;2*1-6-4(7)2-3-5(6)8;1-3-2/h2*1-6H;2*2-3H,1H3;1-2H3.
What are the key properties of benzene;methoxymethane;bis(1-methylpyrrole-2,5-dione)?
benzene;methoxymethane;bis(1-methylpyrrole-2,5-dione) has a molecular weight of 424.50 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;methoxymethane;bis(1-methylpyrrole-2,5-dione) is sourced from PubChem (CID 158479475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).