2-hydroxy-3-(1-methoxyethoxymethoxymethyl)-2H-furan-5-one

C9H14O6 — CID 19019851

IUPAC2-hydroxy-3-(1-methoxyethoxymethoxymethyl)-2H-furan-5-one
SMILESCOC(C)OCOCC1=CC(=O)OC1O
InChIInChI=1S/C9H14O6/c1-6(12-2)14-5-13-4-7-3-8(10)15-9(7)11/h3,6,9,11H,4-5H2,1-2H3
InChIKeyMHGXKWREDXSMRA-UHFFFAOYSA-N
MW218.20 g/mol
LogP-0.23
Rot. Bonds6

About 2-hydroxy-3-(1-methoxyethoxymethoxymethyl)-2H-furan-5-one

2-hydroxy-3-(1-methoxyethoxymethoxymethyl)-2H-furan-5-one (PubChem CID 19019851) has the molecular formula C9H14O6 and a molecular weight of 218.20 g/mol. Its IUPAC name is 2-hydroxy-3-(1-methoxyethoxymethoxymethyl)-2H-furan-5-one.

Molecular Properties

Compound Name2-hydroxy-3-(1-methoxyethoxymethoxymethyl)-2H-furan-5-one
PubChem CID19019851
Molecular FormulaC9H14O6
Molecular Weight218.20 g/mol
Exact Mass218.08
IUPAC Name2-hydroxy-3-(1-methoxyethoxymethoxymethyl)-2H-furan-5-one
SMILESCOC(C)OCOCC1=CC(=O)OC1O
InChIInChI=1S/C9H14O6/c1-6(12-2)14-5-13-4-7-3-8(10)15-9(7)11/h3,6,9,11H,4-5H2,1-2H3
InChIKeyMHGXKWREDXSMRA-UHFFFAOYSA-N
XLogP-0.23
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 5-0.23
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-(1-methoxyethoxymethoxymethyl)-2H-furan-5-one?
The IUPAC name of 2-hydroxy-3-(1-methoxyethoxymethoxymethyl)-2H-furan-5-one (CID 19019851) is 2-hydroxy-3-(1-methoxyethoxymethoxymethyl)-2H-furan-5-one.
What is the SMILES notation for 2-hydroxy-3-(1-methoxyethoxymethoxymethyl)-2H-furan-5-one?
The canonical SMILES for 2-hydroxy-3-(1-methoxyethoxymethoxymethyl)-2H-furan-5-one is COC(C)OCOCC1=CC(=O)OC1O.
What is the InChIKey of 2-hydroxy-3-(1-methoxyethoxymethoxymethyl)-2H-furan-5-one?
The InChIKey is MHGXKWREDXSMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O6/c1-6(12-2)14-5-13-4-7-3-8(10)15-9(7)11/h3,6,9,11H,4-5H2,1-2H3.
What are the key properties of 2-hydroxy-3-(1-methoxyethoxymethoxymethyl)-2H-furan-5-one?
2-hydroxy-3-(1-methoxyethoxymethoxymethyl)-2H-furan-5-one has a molecular weight of 218.20 g/mol, XLogP of -0.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(1-methoxyethoxymethoxymethyl)-2H-furan-5-one is sourced from PubChem (CID 19019851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).