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

C15H16O4 — CID 14716579

IUPAC(8aR)-2,4,8,8,8a-pentamethylfuro[3,4-f][1]benzofuran-5,7-dione
SMILESCC1=CC2=C(C)C3=C(C(=O)OC3=O)C(C)(C)[C@@]2(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/t15-/m0/s1
InChIKeyQQNGXVMYMALCHB-HNNXBMFYSA-N
MW260.29 g/mol
LogP2.42
Rot. Bonds

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

(8aR)-2,4,8,8,8a-pentamethylfuro[3,4-f][1]benzofuran-5,7-dione (PubChem CID 14716579) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is (8aR)-2,4,8,8,8a-pentamethylfuro[3,4-f][1]benzofuran-5,7-dione.

Molecular Properties

Compound Name(8aR)-2,4,8,8,8a-pentamethylfuro[3,4-f][1]benzofuran-5,7-dione
PubChem CID14716579
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name(8aR)-2,4,8,8,8a-pentamethylfuro[3,4-f][1]benzofuran-5,7-dione
SMILESCC1=CC2=C(C)C3=C(C(=O)OC3=O)C(C)(C)[C@@]2(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/t15-/m0/s1
InChIKeyQQNGXVMYMALCHB-HNNXBMFYSA-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'}

Analyze (8aR)-2,4,8,8,8a-pentamethylfuro[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

(5Z)-5-[(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)methylidene]-4-methylfuran-2-one
CID 118721169
hiiranlactone C
CID 52912460
7,7a-Dihydro-2,4,7,7,7a-pentamethylbenzo(b)furan-5,6-dicarboxylic anhydride
CID 14716578
Methyl 2-(6-ethenyl-3,6-dimethyl-2-oxo-4,5-dihydro-1-benzofuran-5-yl)prop-2-enoate
CID 14587118
5-[(1-Hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)methylidene]-4-methylfuran-2-one
CID 90915531
Methyl 5-ethyl-2,5-dimethyl-4-methylidenefuran-3-carboxylate
CID 135049676
(S)-5-((S,Z)-4-(1-hydroxyethylidene)-3-methyl-5-oxotetrahydrofuran-3-yl)-4,5-dimethylfuran-2(5H)-one
CID 139598333
methyl 2-[(5R,6R)-6-ethenyl-3,6-dimethyl-2-oxo-4,5-dihydro-1-benzofuran-5-yl]prop-2-enoate
CID 642904
4,4-Diethyl-11-methyl-3,8,12-trioxatricyclo[7.4.0.02,6]trideca-1(9),2(6),10-triene-7,13-dione
CID 12027690
2,2,3,6-tetramethyl-3H-furo[3,2-c]pyran-4-one
CID 15855951
(8aS)-2,4,8,8,8a-pentamethylfuro[3,4-f][1]benzofuran-5,7-dione
CID 59164119
3-(5-Hydroxy-2,3,4,4,6-pentamethyl-1-benzofuran-2-yl)propanoic acid
CID 67637219

Frequently Asked Questions

What is the IUPAC name of (8aR)-2,4,8,8,8a-pentamethylfuro[3,4-f][1]benzofuran-5,7-dione?
The IUPAC name of (8aR)-2,4,8,8,8a-pentamethylfuro[3,4-f][1]benzofuran-5,7-dione (CID 14716579) is (8aR)-2,4,8,8,8a-pentamethylfuro[3,4-f][1]benzofuran-5,7-dione.
What is the SMILES notation for (8aR)-2,4,8,8,8a-pentamethylfuro[3,4-f][1]benzofuran-5,7-dione?
The canonical SMILES for (8aR)-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)[C@@]2(C)O1.
What is the InChIKey of (8aR)-2,4,8,8,8a-pentamethylfuro[3,4-f][1]benzofuran-5,7-dione?
The InChIKey is QQNGXVMYMALCHB-HNNXBMFYSA-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/t15-/m0/s1.
What are the key properties of (8aR)-2,4,8,8,8a-pentamethylfuro[3,4-f][1]benzofuran-5,7-dione?
(8aR)-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 (8aR)-2,4,8,8,8a-pentamethylfuro[3,4-f][1]benzofuran-5,7-dione is sourced from PubChem (CID 14716579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).