2,5-bis(ethoxycarbonyl)furan-3,4-diolate

C10H10O7-2 — CID 3453861

IUPAC2,5-bis(ethoxycarbonyl)furan-3,4-diolate
SMILESCCOC(=O)c1oc(C(=O)OCC)c([O-])c1[O-]
InChIInChI=1S/C10H12O7/c1-3-15-9(13)7-5(11)6(12)8(17-7)10(14)16-4-2/h11-12H,3-4H2,1-2H3/p-2
InChIKeyJGCMPUKYPRCPRE-UHFFFAOYSA-L
MW242.18 g/mol
LogP-0.22
Rot. Bonds4

About 2,5-bis(ethoxycarbonyl)furan-3,4-diolate

2,5-bis(ethoxycarbonyl)furan-3,4-diolate (PubChem CID 3453861) has the molecular formula C10H10O7-2 and a molecular weight of 242.18 g/mol. Its IUPAC name is 2,5-bis(ethoxycarbonyl)furan-3,4-diolate.

Molecular Properties

Compound Name2,5-bis(ethoxycarbonyl)furan-3,4-diolate
PubChem CID3453861
Molecular FormulaC10H10O7-2
Molecular Weight242.18 g/mol
Exact Mass242.04
IUPAC Name2,5-bis(ethoxycarbonyl)furan-3,4-diolate
SMILESCCOC(=O)c1oc(C(=O)OCC)c([O-])c1[O-]
InChIInChI=1S/C10H12O7/c1-3-15-9(13)7-5(11)6(12)8(17-7)10(14)16-4-2/h11-12H,3-4H2,1-2H3/p-2
InChIKeyJGCMPUKYPRCPRE-UHFFFAOYSA-L
XLogP-0.22
TPSA111.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.18
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

diethyl 4-methyl-5-propanoylfuran-2,3-dicarboxylate
CID 101470289
diethyl 6-oxopyran-2,3-dicarboxylate
CID 102229708
ethyl 4,5-dibromo-3-ethylfuran-2-carboxylate
CID 141405820
ethyl 2-methyl-1,3-oxazole-5-carboxylate
CID 12639612
ethyl 6-oxo-3-propylpyran-2-carboxylate
CID 164685051
ethyl 3-amino-5,5-difluoro-6,7-dihydro-4H-1-benzofuran-2-carboxylate
CID 138110167
ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
tetraethyl 1,4-dihydropyrazine-2,3,5,6-tetracarboxylate
CID 154144676
ethyl 3,5-dimethyl-2,6-dioxo-1,3-oxazine-4-carboxylate
CID 565865
ethyl 3-carbamoylfuran-2-carboxylate
CID 24973056
ethyl 5-carbamoyl-2-methyl-1,3-oxazole-4-carboxylate
CID 68802765
ethyl 3-methoxy-1-benzofuran-2-carboxylate
CID 10922024

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(ethoxycarbonyl)furan-3,4-diolate?
The IUPAC name of 2,5-bis(ethoxycarbonyl)furan-3,4-diolate (CID 3453861) is 2,5-bis(ethoxycarbonyl)furan-3,4-diolate.
What is the SMILES notation for 2,5-bis(ethoxycarbonyl)furan-3,4-diolate?
The canonical SMILES for 2,5-bis(ethoxycarbonyl)furan-3,4-diolate is CCOC(=O)c1oc(C(=O)OCC)c([O-])c1[O-].
What is the InChIKey of 2,5-bis(ethoxycarbonyl)furan-3,4-diolate?
The InChIKey is JGCMPUKYPRCPRE-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H12O7/c1-3-15-9(13)7-5(11)6(12)8(17-7)10(14)16-4-2/h11-12H,3-4H2,1-2H3/p-2.
What are the key properties of 2,5-bis(ethoxycarbonyl)furan-3,4-diolate?
2,5-bis(ethoxycarbonyl)furan-3,4-diolate has a molecular weight of 242.18 g/mol, XLogP of -0.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(ethoxycarbonyl)furan-3,4-diolate is sourced from PubChem (CID 3453861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).