2-(1,2-dimethoxyethyl)-4-hydroxy-3-methoxy-2H-furan-5-one

C9H14O6 — CID 21049584

IUPAC2-(1,2-dimethoxyethyl)-4-hydroxy-3-methoxy-2H-furan-5-one
SMILESCOCC(OC)C1OC(=O)C(O)=C1OC
InChIInChI=1S/C9H14O6/c1-12-4-5(13-2)7-8(14-3)6(10)9(11)15-7/h5,7,10H,4H2,1-3H3
InChIKeyZFJUAJOKOJJONV-UHFFFAOYSA-N
MW218.20 g/mol
LogP-0.01
Rot. Bonds5

About 2-(1,2-dimethoxyethyl)-4-hydroxy-3-methoxy-2H-furan-5-one

2-(1,2-dimethoxyethyl)-4-hydroxy-3-methoxy-2H-furan-5-one (PubChem CID 21049584) has the molecular formula C9H14O6 and a molecular weight of 218.20 g/mol. Its IUPAC name is 2-(1,2-dimethoxyethyl)-4-hydroxy-3-methoxy-2H-furan-5-one.

Molecular Properties

Compound Name2-(1,2-dimethoxyethyl)-4-hydroxy-3-methoxy-2H-furan-5-one
PubChem CID21049584
Molecular FormulaC9H14O6
Molecular Weight218.20 g/mol
Exact Mass218.08
IUPAC Name2-(1,2-dimethoxyethyl)-4-hydroxy-3-methoxy-2H-furan-5-one
SMILESCOCC(OC)C1OC(=O)C(O)=C1OC
InChIInChI=1S/C9H14O6/c1-12-4-5(13-2)7-8(14-3)6(10)9(11)15-7/h5,7,10H,4H2,1-3H3
InChIKeyZFJUAJOKOJJONV-UHFFFAOYSA-N
XLogP-0.01
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethoxyethyl)-4-hydroxy-3-methoxy-2H-furan-5-one?
The IUPAC name of 2-(1,2-dimethoxyethyl)-4-hydroxy-3-methoxy-2H-furan-5-one (CID 21049584) is 2-(1,2-dimethoxyethyl)-4-hydroxy-3-methoxy-2H-furan-5-one.
What is the SMILES notation for 2-(1,2-dimethoxyethyl)-4-hydroxy-3-methoxy-2H-furan-5-one?
The canonical SMILES for 2-(1,2-dimethoxyethyl)-4-hydroxy-3-methoxy-2H-furan-5-one is COCC(OC)C1OC(=O)C(O)=C1OC.
What is the InChIKey of 2-(1,2-dimethoxyethyl)-4-hydroxy-3-methoxy-2H-furan-5-one?
The InChIKey is ZFJUAJOKOJJONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O6/c1-12-4-5(13-2)7-8(14-3)6(10)9(11)15-7/h5,7,10H,4H2,1-3H3.
What are the key properties of 2-(1,2-dimethoxyethyl)-4-hydroxy-3-methoxy-2H-furan-5-one?
2-(1,2-dimethoxyethyl)-4-hydroxy-3-methoxy-2H-furan-5-one has a molecular weight of 218.20 g/mol, XLogP of -0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethoxyethyl)-4-hydroxy-3-methoxy-2H-furan-5-one is sourced from PubChem (CID 21049584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).