2,4,8,8-tetramethyl-8aH-furo[3,4-f][1]benzofuran-5,7-dione

C14H14O4 — CID 102056803

IUPAC2,4,8,8-tetramethyl-8aH-furo[3,4-f][1]benzofuran-5,7-dione
SMILESCC1=CC2=C(C)C3=C(C(=O)OC3=O)C(C)(C)C2O1
InChIInChI=1S/C14H14O4/c1-6-5-8-7(2)9-10(13(16)18-12(9)15)14(3,4)11(8)17-6/h5,11H,1-4H3
InChIKeyZUAISLWVBISHLQ-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.03
Rot. Bonds

About 2,4,8,8-tetramethyl-8aH-furo[3,4-f][1]benzofuran-5,7-dione

2,4,8,8-tetramethyl-8aH-furo[3,4-f][1]benzofuran-5,7-dione (PubChem CID 102056803) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is 2,4,8,8-tetramethyl-8aH-furo[3,4-f][1]benzofuran-5,7-dione.

Molecular Properties

Compound Name2,4,8,8-tetramethyl-8aH-furo[3,4-f][1]benzofuran-5,7-dione
PubChem CID102056803
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name2,4,8,8-tetramethyl-8aH-furo[3,4-f][1]benzofuran-5,7-dione
SMILESCC1=CC2=C(C)C3=C(C(=O)OC3=O)C(C)(C)C2O1
InChIInChI=1S/C14H14O4/c1-6-5-8-7(2)9-10(13(16)18-12(9)15)14(3,4)11(8)17-6/h5,11H,1-4H3
InChIKeyZUAISLWVBISHLQ-UHFFFAOYSA-N
XLogP2.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,4,8,8-tetramethyl-8aH-furo[3,4-f][1]benzofuran-5,7-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,7a-Dihydro-2,4,7,7,7a-pentamethylbenzo(b)furan-5,6-dicarboxylic anhydride
CID 14716578
methyl (3aR,7aR)-2-(2-methoxy-2-oxoethyl)-3a,4,5,7a-tetrahydro-1-benzofuran-3-carboxylate
CID 10060747
methyl (4Z)-4-(2-methoxy-2-oxoethylidene)-5-propan-2-ylfuran-3-carboxylate
CID 11379459
Methyl 2-methyl-3a,4,5,7a-tetrahydro-1-benzofuran-3-carboxylate
CID 13459708
methyl (3aS,7aS)-2-methyl-3a,4,5,7a-tetrahydro-1-benzofuran-3-carboxylate
CID 13459709
(1S,9S)-5-methyl-4,8,12-trioxatricyclo[7.4.0.02,7]trideca-2(7),5,10-trien-3-one
CID 102526054
ethyl (E)-3-(3-ethyl-1-oxo-2-oxaspiro[4.4]non-3-en-4-yl)prop-2-enoate
CID 134842056
methyl (3aS,7aS)-2-butyl-3a,4,5,7a-tetrahydro-1-benzofuran-3-carboxylate
CID 134900409
(1S,9R)-5-methyl-4,8,12-trioxatricyclo[7.4.0.02,7]trideca-2(7),5,10-trien-3-one
CID 134965802
methyl (3aR,7aR)-2-(4-methylpent-3-enyl)-3a,4,5,7a-tetrahydro-1-benzofuran-3-carboxylate
CID 134972666
methyl (2S)-2-[(1S)-1,2-dimethylcyclopent-2-en-1-yl]-5-methyl-2,3-dihydrofuran-4-carboxylate
CID 135021851
(8aS)-2,4,8,8,8a-pentamethylfuro[3,4-f][1]benzofuran-5,7-dione
CID 59164119

Frequently Asked Questions

What is the IUPAC name of 2,4,8,8-tetramethyl-8aH-furo[3,4-f][1]benzofuran-5,7-dione?
The IUPAC name of 2,4,8,8-tetramethyl-8aH-furo[3,4-f][1]benzofuran-5,7-dione (CID 102056803) is 2,4,8,8-tetramethyl-8aH-furo[3,4-f][1]benzofuran-5,7-dione.
What is the SMILES notation for 2,4,8,8-tetramethyl-8aH-furo[3,4-f][1]benzofuran-5,7-dione?
The canonical SMILES for 2,4,8,8-tetramethyl-8aH-furo[3,4-f][1]benzofuran-5,7-dione is CC1=CC2=C(C)C3=C(C(=O)OC3=O)C(C)(C)C2O1.
What is the InChIKey of 2,4,8,8-tetramethyl-8aH-furo[3,4-f][1]benzofuran-5,7-dione?
The InChIKey is ZUAISLWVBISHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c1-6-5-8-7(2)9-10(13(16)18-12(9)15)14(3,4)11(8)17-6/h5,11H,1-4H3.
What are the key properties of 2,4,8,8-tetramethyl-8aH-furo[3,4-f][1]benzofuran-5,7-dione?
2,4,8,8-tetramethyl-8aH-furo[3,4-f][1]benzofuran-5,7-dione has a molecular weight of 246.26 g/mol, XLogP of 2.03, 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-tetramethyl-8aH-furo[3,4-f][1]benzofuran-5,7-dione is sourced from PubChem (CID 102056803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).