diethyl 2-(furan-2-yl)-2-hydroxypropanedioate

C11H14O6 — CID 12836548

IUPACdiethyl 2-(furan-2-yl)-2-hydroxypropanedioate
SMILESCCOC(=O)C(O)(C(=O)OCC)c1ccco1
InChIInChI=1S/C11H14O6/c1-3-15-9(12)11(14,10(13)16-4-2)8-6-5-7-17-8/h5-7,14H,3-4H2,1-2H3
InChIKeySSQYQPUYNYUTOI-UHFFFAOYSA-N
MW242.23 g/mol
LogP0.59
Rot. Bonds5

About diethyl 2-(furan-2-yl)-2-hydroxypropanedioate

diethyl 2-(furan-2-yl)-2-hydroxypropanedioate (PubChem CID 12836548) has the molecular formula C11H14O6 and a molecular weight of 242.23 g/mol. Its IUPAC name is diethyl 2-(furan-2-yl)-2-hydroxypropanedioate.

Molecular Properties

Compound Namediethyl 2-(furan-2-yl)-2-hydroxypropanedioate
PubChem CID12836548
Molecular FormulaC11H14O6
Molecular Weight242.23 g/mol
Exact Mass242.08
IUPAC Namediethyl 2-(furan-2-yl)-2-hydroxypropanedioate
SMILESCCOC(=O)C(O)(C(=O)OCC)c1ccco1
InChIInChI=1S/C11H14O6/c1-3-15-9(12)11(14,10(13)16-4-2)8-6-5-7-17-8/h5-7,14H,3-4H2,1-2H3
InChIKeySSQYQPUYNYUTOI-UHFFFAOYSA-N
XLogP0.59
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(furan-2-yl)-3-hydroxy-4-methylpentanoate
CID 121002413
diethyl 2-amino-2-(furan-2-carbonyl)propanedioate
CID 174833860
ethyl 2-formyl-2-(furan-2-yl)pent-4-enoate
CID 122202558
ethyl 2,2-difluoro-3-(furan-2-yl)-3-oxopropanoate
CID 14249560
triethyl [5-(1,3-diethoxy-2-ethoxycarbonyl-1,3-dioxopropan-2-yl)furan-2-yl]methanetricarboxylate
CID 15310502
diethyl 2-(furan-2-ylmethyl)-2-propylpropanedioate
CID 103972824
diethyl 2-(furan-2-ylmethyl)-2-(2-methylpropyl)propanedioate
CID 103972769
methyl 4-amino-3-ethyl-3-(furan-2-yl)-4-methylpentanoate
CID 66098609
methyl 4-cyano-4-ethoxycarbonyloxy-4-(furan-2-yl)-2-methylidenebutanoate
CID 135002798
ethyl 6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyridine-3-carboxylate
CID 133323689
2-(furan-2-yl)-2-methylbutanoate
CID 57375081
4-amino-3-ethyl-3-(furan-2-yl)hexanoic acid
CID 66097321

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(furan-2-yl)-2-hydroxypropanedioate?
The IUPAC name of diethyl 2-(furan-2-yl)-2-hydroxypropanedioate (CID 12836548) is diethyl 2-(furan-2-yl)-2-hydroxypropanedioate.
What is the SMILES notation for diethyl 2-(furan-2-yl)-2-hydroxypropanedioate?
The canonical SMILES for diethyl 2-(furan-2-yl)-2-hydroxypropanedioate is CCOC(=O)C(O)(C(=O)OCC)c1ccco1.
What is the InChIKey of diethyl 2-(furan-2-yl)-2-hydroxypropanedioate?
The InChIKey is SSQYQPUYNYUTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O6/c1-3-15-9(12)11(14,10(13)16-4-2)8-6-5-7-17-8/h5-7,14H,3-4H2,1-2H3.
What are the key properties of diethyl 2-(furan-2-yl)-2-hydroxypropanedioate?
diethyl 2-(furan-2-yl)-2-hydroxypropanedioate has a molecular weight of 242.23 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(furan-2-yl)-2-hydroxypropanedioate is sourced from PubChem (CID 12836548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).