8-ethyl-4a,7a,8,8a-tetrahydrofuro[3,4-f][2]benzofuran-1,3,5,7-tetrone

C12H10O6 — CID 126736029

IUPAC8-ethyl-4a,7a,8,8a-tetrahydrofuro[3,4-f][2]benzofuran-1,3,5,7-tetrone
SMILESCCC1C2C(=O)OC(=O)C2=CC2C(=O)OC(=O)C21
InChIInChI=1S/C12H10O6/c1-2-4-7-5(9(13)17-11(7)15)3-6-8(4)12(16)18-10(6)14/h3-5,7-8H,2H2,1H3
InChIKeyDXRBFGWTEDHVFI-UHFFFAOYSA-N
MW250.21 g/mol
LogP-0.03
Rot. Bonds1

About 8-ethyl-4a,7a,8,8a-tetrahydrofuro[3,4-f][2]benzofuran-1,3,5,7-tetrone

8-ethyl-4a,7a,8,8a-tetrahydrofuro[3,4-f][2]benzofuran-1,3,5,7-tetrone (PubChem CID 126736029) has the molecular formula C12H10O6 and a molecular weight of 250.21 g/mol. Its IUPAC name is 8-ethyl-4a,7a,8,8a-tetrahydrofuro[3,4-f][2]benzofuran-1,3,5,7-tetrone.

Molecular Properties

Compound Name8-ethyl-4a,7a,8,8a-tetrahydrofuro[3,4-f][2]benzofuran-1,3,5,7-tetrone
PubChem CID126736029
Molecular FormulaC12H10O6
Molecular Weight250.21 g/mol
Exact Mass250.05
IUPAC Name8-ethyl-4a,7a,8,8a-tetrahydrofuro[3,4-f][2]benzofuran-1,3,5,7-tetrone
SMILESCCC1C2C(=O)OC(=O)C2=CC2C(=O)OC(=O)C21
InChIInChI=1S/C12H10O6/c1-2-4-7-5(9(13)17-11(7)15)3-6-8(4)12(16)18-10(6)14/h3-5,7-8H,2H2,1H3
InChIKeyDXRBFGWTEDHVFI-UHFFFAOYSA-N
XLogP-0.03
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 8-ethyl-4a,7a,8,8a-tetrahydrofuro[3,4-f][2]benzofuran-1,3,5,7-tetrone?
The IUPAC name of 8-ethyl-4a,7a,8,8a-tetrahydrofuro[3,4-f][2]benzofuran-1,3,5,7-tetrone (CID 126736029) is 8-ethyl-4a,7a,8,8a-tetrahydrofuro[3,4-f][2]benzofuran-1,3,5,7-tetrone.
What is the SMILES notation for 8-ethyl-4a,7a,8,8a-tetrahydrofuro[3,4-f][2]benzofuran-1,3,5,7-tetrone?
The canonical SMILES for 8-ethyl-4a,7a,8,8a-tetrahydrofuro[3,4-f][2]benzofuran-1,3,5,7-tetrone is CCC1C2C(=O)OC(=O)C2=CC2C(=O)OC(=O)C21.
What is the InChIKey of 8-ethyl-4a,7a,8,8a-tetrahydrofuro[3,4-f][2]benzofuran-1,3,5,7-tetrone?
The InChIKey is DXRBFGWTEDHVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O6/c1-2-4-7-5(9(13)17-11(7)15)3-6-8(4)12(16)18-10(6)14/h3-5,7-8H,2H2,1H3.
What are the key properties of 8-ethyl-4a,7a,8,8a-tetrahydrofuro[3,4-f][2]benzofuran-1,3,5,7-tetrone?
8-ethyl-4a,7a,8,8a-tetrahydrofuro[3,4-f][2]benzofuran-1,3,5,7-tetrone has a molecular weight of 250.21 g/mol, XLogP of -0.03, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-4a,7a,8,8a-tetrahydrofuro[3,4-f][2]benzofuran-1,3,5,7-tetrone is sourced from PubChem (CID 126736029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).