4-(1-ethoxyethoxy)-2,5-dimethylfuran-3-one

C10H16O4 — CID 23321276

IUPAC4-(1-ethoxyethoxy)-2,5-dimethylfuran-3-one
SMILESCCOC(C)OC1=C(C)OC(C)C1=O
InChIInChI=1S/C10H16O4/c1-5-12-8(4)14-10-7(3)13-6(2)9(10)11/h6,8H,5H2,1-4H3
InChIKeyIJRIYGHKTAICDS-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.60
Rot. Bonds4

About 4-(1-ethoxyethoxy)-2,5-dimethylfuran-3-one

4-(1-ethoxyethoxy)-2,5-dimethylfuran-3-one (PubChem CID 23321276) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 4-(1-ethoxyethoxy)-2,5-dimethylfuran-3-one.

Molecular Properties

Compound Name4-(1-ethoxyethoxy)-2,5-dimethylfuran-3-one
PubChem CID23321276
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name4-(1-ethoxyethoxy)-2,5-dimethylfuran-3-one
SMILESCCOC(C)OC1=C(C)OC(C)C1=O
InChIInChI=1S/C10H16O4/c1-5-12-8(4)14-10-7(3)13-6(2)9(10)11/h6,8H,5H2,1-4H3
InChIKeyIJRIYGHKTAICDS-UHFFFAOYSA-N
XLogP1.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxyethoxy)-2,5-dimethylfuran-3-one?
The IUPAC name of 4-(1-ethoxyethoxy)-2,5-dimethylfuran-3-one (CID 23321276) is 4-(1-ethoxyethoxy)-2,5-dimethylfuran-3-one.
What is the SMILES notation for 4-(1-ethoxyethoxy)-2,5-dimethylfuran-3-one?
The canonical SMILES for 4-(1-ethoxyethoxy)-2,5-dimethylfuran-3-one is CCOC(C)OC1=C(C)OC(C)C1=O.
What is the InChIKey of 4-(1-ethoxyethoxy)-2,5-dimethylfuran-3-one?
The InChIKey is IJRIYGHKTAICDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-5-12-8(4)14-10-7(3)13-6(2)9(10)11/h6,8H,5H2,1-4H3.
What are the key properties of 4-(1-ethoxyethoxy)-2,5-dimethylfuran-3-one?
4-(1-ethoxyethoxy)-2,5-dimethylfuran-3-one has a molecular weight of 200.23 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxyethoxy)-2,5-dimethylfuran-3-one is sourced from PubChem (CID 23321276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).