(5E)-4-[ethoxy(methoxy)methyl]-5-(2-hydroxyethylidene)furan-2-one

C10H14O5 — CID 156581970

IUPAC(5E)-4-[ethoxy(methoxy)methyl]-5-(2-hydroxyethylidene)furan-2-one
SMILESCCOC(OC)C1=CC(=O)O/C1=C/CO
InChIInChI=1S/C10H14O5/c1-3-14-10(13-2)7-6-9(12)15-8(7)4-5-11/h4,6,10-11H,3,5H2,1-2H3/b8-4+
InChIKeyMNQJFRHMVBQLBJ-XBXARRHUSA-N
MW214.22 g/mol
LogP0.35
Rot. Bonds5

About (5E)-4-[ethoxy(methoxy)methyl]-5-(2-hydroxyethylidene)furan-2-one

(5E)-4-[ethoxy(methoxy)methyl]-5-(2-hydroxyethylidene)furan-2-one (PubChem CID 156581970) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is (5E)-4-[ethoxy(methoxy)methyl]-5-(2-hydroxyethylidene)furan-2-one.

Molecular Properties

Compound Name(5E)-4-[ethoxy(methoxy)methyl]-5-(2-hydroxyethylidene)furan-2-one
PubChem CID156581970
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name(5E)-4-[ethoxy(methoxy)methyl]-5-(2-hydroxyethylidene)furan-2-one
SMILESCCOC(OC)C1=CC(=O)O/C1=C/CO
InChIInChI=1S/C10H14O5/c1-3-14-10(13-2)7-6-9(12)15-8(7)4-5-11/h4,6,10-11H,3,5H2,1-2H3/b8-4+
InChIKeyMNQJFRHMVBQLBJ-XBXARRHUSA-N
XLogP0.35
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (5E)-4-[ethoxy(methoxy)methyl]-5-(2-hydroxyethylidene)furan-2-one?
The IUPAC name of (5E)-4-[ethoxy(methoxy)methyl]-5-(2-hydroxyethylidene)furan-2-one (CID 156581970) is (5E)-4-[ethoxy(methoxy)methyl]-5-(2-hydroxyethylidene)furan-2-one.
What is the SMILES notation for (5E)-4-[ethoxy(methoxy)methyl]-5-(2-hydroxyethylidene)furan-2-one?
The canonical SMILES for (5E)-4-[ethoxy(methoxy)methyl]-5-(2-hydroxyethylidene)furan-2-one is CCOC(OC)C1=CC(=O)O/C1=C/CO.
What is the InChIKey of (5E)-4-[ethoxy(methoxy)methyl]-5-(2-hydroxyethylidene)furan-2-one?
The InChIKey is MNQJFRHMVBQLBJ-XBXARRHUSA-N. The full InChI is InChI=1S/C10H14O5/c1-3-14-10(13-2)7-6-9(12)15-8(7)4-5-11/h4,6,10-11H,3,5H2,1-2H3/b8-4+.
What are the key properties of (5E)-4-[ethoxy(methoxy)methyl]-5-(2-hydroxyethylidene)furan-2-one?
(5E)-4-[ethoxy(methoxy)methyl]-5-(2-hydroxyethylidene)furan-2-one has a molecular weight of 214.22 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-4-[ethoxy(methoxy)methyl]-5-(2-hydroxyethylidene)furan-2-one is sourced from PubChem (CID 156581970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).