1,2-dimethoxyethane;1,3-di(propan-2-yl)imidazol-2-one

C13H26N2O3 — CID 174813663

IUPAC1,2-dimethoxyethane;1,3-di(propan-2-yl)imidazol-2-one
SMILESCC(C)n1ccn(C(C)C)c1=O.COCCOC
InChIInChI=1S/C9H16N2O.C4H10O2/c1-7(2)10-5-6-11(8(3)4)9(10)12;1-5-3-4-6-2/h5-8H,1-4H3;3-4H2,1-2H3
InChIKeyFZBSKLYNKPYHLX-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.09
Rot. Bonds5

About 1,2-dimethoxyethane;1,3-di(propan-2-yl)imidazol-2-one

1,2-dimethoxyethane;1,3-di(propan-2-yl)imidazol-2-one (PubChem CID 174813663) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1,2-dimethoxyethane;1,3-di(propan-2-yl)imidazol-2-one.

Molecular Properties

Compound Name1,2-dimethoxyethane;1,3-di(propan-2-yl)imidazol-2-one
PubChem CID174813663
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name1,2-dimethoxyethane;1,3-di(propan-2-yl)imidazol-2-one
SMILESCC(C)n1ccn(C(C)C)c1=O.COCCOC
InChIInChI=1S/C9H16N2O.C4H10O2/c1-7(2)10-5-6-11(8(3)4)9(10)12;1-5-3-4-6-2/h5-8H,1-4H3;3-4H2,1-2H3
InChIKeyFZBSKLYNKPYHLX-UHFFFAOYSA-N
XLogP2.09
TPSA45.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxyethane;1,3-di(propan-2-yl)imidazol-2-one?
The IUPAC name of 1,2-dimethoxyethane;1,3-di(propan-2-yl)imidazol-2-one (CID 174813663) is 1,2-dimethoxyethane;1,3-di(propan-2-yl)imidazol-2-one.
What is the SMILES notation for 1,2-dimethoxyethane;1,3-di(propan-2-yl)imidazol-2-one?
The canonical SMILES for 1,2-dimethoxyethane;1,3-di(propan-2-yl)imidazol-2-one is CC(C)n1ccn(C(C)C)c1=O.COCCOC.
What is the InChIKey of 1,2-dimethoxyethane;1,3-di(propan-2-yl)imidazol-2-one?
The InChIKey is FZBSKLYNKPYHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O.C4H10O2/c1-7(2)10-5-6-11(8(3)4)9(10)12;1-5-3-4-6-2/h5-8H,1-4H3;3-4H2,1-2H3.
What are the key properties of 1,2-dimethoxyethane;1,3-di(propan-2-yl)imidazol-2-one?
1,2-dimethoxyethane;1,3-di(propan-2-yl)imidazol-2-one has a molecular weight of 258.36 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxyethane;1,3-di(propan-2-yl)imidazol-2-one is sourced from PubChem (CID 174813663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).