[1-(2-hydroxy-5-oxo-2H-furan-3-yl)-2-(2-methoxyethoxymethoxy)ethyl] acetate

C12H18O8 — CID 19885960

IUPAC[1-(2-hydroxy-5-oxo-2H-furan-3-yl)-2-(2-methoxyethoxymethoxy)ethyl] acetate
SMILESCOCCOCOCC(OC(C)=O)C1=CC(=O)OC1O
InChIInChI=1S/C12H18O8/c1-8(13)19-10(6-18-7-17-4-3-16-2)9-5-11(14)20-12(9)15/h5,10,12,15H,3-4,6-7H2,1-2H3
InChIKeyIBOWUNOURIVKMC-UHFFFAOYSA-N
MW290.27 g/mol
LogP-0.64
Rot. Bonds9

About [1-(2-hydroxy-5-oxo-2H-furan-3-yl)-2-(2-methoxyethoxymethoxy)ethyl] acetate

[1-(2-hydroxy-5-oxo-2H-furan-3-yl)-2-(2-methoxyethoxymethoxy)ethyl] acetate (PubChem CID 19885960) has the molecular formula C12H18O8 and a molecular weight of 290.27 g/mol. Its IUPAC name is [1-(2-hydroxy-5-oxo-2H-furan-3-yl)-2-(2-methoxyethoxymethoxy)ethyl] acetate.

Molecular Properties

Compound Name[1-(2-hydroxy-5-oxo-2H-furan-3-yl)-2-(2-methoxyethoxymethoxy)ethyl] acetate
PubChem CID19885960
Molecular FormulaC12H18O8
Molecular Weight290.27 g/mol
Exact Mass290.10
IUPAC Name[1-(2-hydroxy-5-oxo-2H-furan-3-yl)-2-(2-methoxyethoxymethoxy)ethyl] acetate
SMILESCOCCOCOCC(OC(C)=O)C1=CC(=O)OC1O
InChIInChI=1S/C12H18O8/c1-8(13)19-10(6-18-7-17-4-3-16-2)9-5-11(14)20-12(9)15/h5,10,12,15H,3-4,6-7H2,1-2H3
InChIKeyIBOWUNOURIVKMC-UHFFFAOYSA-N
XLogP-0.64
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 [1-(2-hydroxy-5-oxo-2H-furan-3-yl)-2-(2-methoxyethoxymethoxy)ethyl] acetate?
The IUPAC name of [1-(2-hydroxy-5-oxo-2H-furan-3-yl)-2-(2-methoxyethoxymethoxy)ethyl] acetate (CID 19885960) is [1-(2-hydroxy-5-oxo-2H-furan-3-yl)-2-(2-methoxyethoxymethoxy)ethyl] acetate.
What is the SMILES notation for [1-(2-hydroxy-5-oxo-2H-furan-3-yl)-2-(2-methoxyethoxymethoxy)ethyl] acetate?
The canonical SMILES for [1-(2-hydroxy-5-oxo-2H-furan-3-yl)-2-(2-methoxyethoxymethoxy)ethyl] acetate is COCCOCOCC(OC(C)=O)C1=CC(=O)OC1O.
What is the InChIKey of [1-(2-hydroxy-5-oxo-2H-furan-3-yl)-2-(2-methoxyethoxymethoxy)ethyl] acetate?
The InChIKey is IBOWUNOURIVKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O8/c1-8(13)19-10(6-18-7-17-4-3-16-2)9-5-11(14)20-12(9)15/h5,10,12,15H,3-4,6-7H2,1-2H3.
What are the key properties of [1-(2-hydroxy-5-oxo-2H-furan-3-yl)-2-(2-methoxyethoxymethoxy)ethyl] acetate?
[1-(2-hydroxy-5-oxo-2H-furan-3-yl)-2-(2-methoxyethoxymethoxy)ethyl] acetate has a molecular weight of 290.27 g/mol, XLogP of -0.64, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-hydroxy-5-oxo-2H-furan-3-yl)-2-(2-methoxyethoxymethoxy)ethyl] acetate is sourced from PubChem (CID 19885960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).