2,4,8,8,8a-pentamethylfuro[3,4-f][1]benzofuran-5,7-dione

C15H16O4 — CID 14716578

IUPAC2,4,8,8,8a-pentamethylfuro[3,4-f][1]benzofuran-5,7-dione
SMILESCC1=CC2=C(C)C3=C(C(=O)OC3=O)C(C)(C)C2(C)O1
InChIInChI=1S/C15H16O4/c1-7-6-9-8(2)10-11(13(17)18-12(10)16)14(3,4)15(9,5)19-7/h6H,1-5H3
InChIKeyQQNGXVMYMALCHB-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.42
Rot. Bonds

About 2,4,8,8,8a-pentamethylfuro[3,4-f][1]benzofuran-5,7-dione

2,4,8,8,8a-pentamethylfuro[3,4-f][1]benzofuran-5,7-dione (PubChem CID 14716578) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2,4,8,8,8a-pentamethylfuro[3,4-f][1]benzofuran-5,7-dione.

Molecular Properties

Compound Name2,4,8,8,8a-pentamethylfuro[3,4-f][1]benzofuran-5,7-dione
PubChem CID14716578
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name2,4,8,8,8a-pentamethylfuro[3,4-f][1]benzofuran-5,7-dione
SMILESCC1=CC2=C(C)C3=C(C(=O)OC3=O)C(C)(C)C2(C)O1
InChIInChI=1S/C15H16O4/c1-7-6-9-8(2)10-11(13(17)18-12(10)16)14(3,4)15(9,5)19-7/h6H,1-5H3
InChIKeyQQNGXVMYMALCHB-UHFFFAOYSA-N
XLogP2.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2,4,8,8,8a-pentamethylfuro[3,4-f][1]benzofuran-5,7-dione?
The IUPAC name of 2,4,8,8,8a-pentamethylfuro[3,4-f][1]benzofuran-5,7-dione (CID 14716578) is 2,4,8,8,8a-pentamethylfuro[3,4-f][1]benzofuran-5,7-dione.
What is the SMILES notation for 2,4,8,8,8a-pentamethylfuro[3,4-f][1]benzofuran-5,7-dione?
The canonical SMILES for 2,4,8,8,8a-pentamethylfuro[3,4-f][1]benzofuran-5,7-dione is CC1=CC2=C(C)C3=C(C(=O)OC3=O)C(C)(C)C2(C)O1.
What is the InChIKey of 2,4,8,8,8a-pentamethylfuro[3,4-f][1]benzofuran-5,7-dione?
The InChIKey is QQNGXVMYMALCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-7-6-9-8(2)10-11(13(17)18-12(10)16)14(3,4)15(9,5)19-7/h6H,1-5H3.
What are the key properties of 2,4,8,8,8a-pentamethylfuro[3,4-f][1]benzofuran-5,7-dione?
2,4,8,8,8a-pentamethylfuro[3,4-f][1]benzofuran-5,7-dione has a molecular weight of 260.29 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,8,8,8a-pentamethylfuro[3,4-f][1]benzofuran-5,7-dione is sourced from PubChem (CID 14716578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).