carboxy (2,5-dioxofuran-3-yl) carbonate

C6H2O8 — CID 57116736

IUPACcarboxy (2,5-dioxofuran-3-yl) carbonate
SMILESO=C(O)OC(=O)OC1=CC(=O)OC1=O
InChIInChI=1S/C6H2O8/c7-3-1-2(4(8)13-3)12-6(11)14-5(9)10/h1H,(H,9,10)
InChIKeyDOULDBLXTNZREP-UHFFFAOYSA-N
MW202.07 g/mol
LogP-0.22
Rot. Bonds1

About carboxy (2,5-dioxofuran-3-yl) carbonate

carboxy (2,5-dioxofuran-3-yl) carbonate (PubChem CID 57116736) has the molecular formula C6H2O8 and a molecular weight of 202.07 g/mol. Its IUPAC name is carboxy (2,5-dioxofuran-3-yl) carbonate.

Molecular Properties

Compound Namecarboxy (2,5-dioxofuran-3-yl) carbonate
PubChem CID57116736
Molecular FormulaC6H2O8
Molecular Weight202.07 g/mol
Exact Mass201.97
IUPAC Namecarboxy (2,5-dioxofuran-3-yl) carbonate
SMILESO=C(O)OC(=O)OC1=CC(=O)OC1=O
InChIInChI=1S/C6H2O8/c7-3-1-2(4(8)13-3)12-6(11)14-5(9)10/h1H,(H,9,10)
InChIKeyDOULDBLXTNZREP-UHFFFAOYSA-N
XLogP-0.22
TPSA116.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.07
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carboxy (2,5-dioxofuran-3-yl) carbonate?
The IUPAC name of carboxy (2,5-dioxofuran-3-yl) carbonate (CID 57116736) is carboxy (2,5-dioxofuran-3-yl) carbonate.
What is the SMILES notation for carboxy (2,5-dioxofuran-3-yl) carbonate?
The canonical SMILES for carboxy (2,5-dioxofuran-3-yl) carbonate is O=C(O)OC(=O)OC1=CC(=O)OC1=O.
What is the InChIKey of carboxy (2,5-dioxofuran-3-yl) carbonate?
The InChIKey is DOULDBLXTNZREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2O8/c7-3-1-2(4(8)13-3)12-6(11)14-5(9)10/h1H,(H,9,10).
What are the key properties of carboxy (2,5-dioxofuran-3-yl) carbonate?
carboxy (2,5-dioxofuran-3-yl) carbonate has a molecular weight of 202.07 g/mol, XLogP of -0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for carboxy (2,5-dioxofuran-3-yl) carbonate is sourced from PubChem (CID 57116736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).