2-hydroxy-3-(2-methoxyethoxymethoxymethyl)-2H-furan-5-one

C9H14O6 — CID 15037038

IUPAC2-hydroxy-3-(2-methoxyethoxymethoxymethyl)-2H-furan-5-one
SMILESCOCCOCOCC1=CC(=O)OC1O
InChIInChI=1S/C9H14O6/c1-12-2-3-13-6-14-5-7-4-8(10)15-9(7)11/h4,9,11H,2-3,5-6H2,1H3
InChIKeyFOYGVQLPVNGALH-UHFFFAOYSA-N
MW218.20 g/mol
LogP-0.57
Rot. Bonds7

About 2-hydroxy-3-(2-methoxyethoxymethoxymethyl)-2H-furan-5-one

2-hydroxy-3-(2-methoxyethoxymethoxymethyl)-2H-furan-5-one (PubChem CID 15037038) has the molecular formula C9H14O6 and a molecular weight of 218.20 g/mol. Its IUPAC name is 2-hydroxy-3-(2-methoxyethoxymethoxymethyl)-2H-furan-5-one.

Molecular Properties

Compound Name2-hydroxy-3-(2-methoxyethoxymethoxymethyl)-2H-furan-5-one
PubChem CID15037038
Molecular FormulaC9H14O6
Molecular Weight218.20 g/mol
Exact Mass218.08
IUPAC Name2-hydroxy-3-(2-methoxyethoxymethoxymethyl)-2H-furan-5-one
SMILESCOCCOCOCC1=CC(=O)OC1O
InChIInChI=1S/C9H14O6/c1-12-2-3-13-6-14-5-7-4-8(10)15-9(7)11/h4,9,11H,2-3,5-6H2,1H3
InChIKeyFOYGVQLPVNGALH-UHFFFAOYSA-N
XLogP-0.57
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(2-methoxyethoxymethoxymethyl)-2H-furan-5-one?
The IUPAC name of 2-hydroxy-3-(2-methoxyethoxymethoxymethyl)-2H-furan-5-one (CID 15037038) is 2-hydroxy-3-(2-methoxyethoxymethoxymethyl)-2H-furan-5-one.
What is the SMILES notation for 2-hydroxy-3-(2-methoxyethoxymethoxymethyl)-2H-furan-5-one?
The canonical SMILES for 2-hydroxy-3-(2-methoxyethoxymethoxymethyl)-2H-furan-5-one is COCCOCOCC1=CC(=O)OC1O.
What is the InChIKey of 2-hydroxy-3-(2-methoxyethoxymethoxymethyl)-2H-furan-5-one?
The InChIKey is FOYGVQLPVNGALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O6/c1-12-2-3-13-6-14-5-7-4-8(10)15-9(7)11/h4,9,11H,2-3,5-6H2,1H3.
What are the key properties of 2-hydroxy-3-(2-methoxyethoxymethoxymethyl)-2H-furan-5-one?
2-hydroxy-3-(2-methoxyethoxymethoxymethyl)-2H-furan-5-one has a molecular weight of 218.20 g/mol, XLogP of -0.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(2-methoxyethoxymethoxymethyl)-2H-furan-5-one is sourced from PubChem (CID 15037038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).