2,2,4,4,7,7,9,9-octamethyl-5a-propan-2-yl-10bH-[1]benzofuro[2,3-b][1]benzofuran-1,3,8,10-tetrone

C25H32O6 — CID 102521924

IUPAC2,2,4,4,7,7,9,9-octamethyl-5a-propan-2-yl-10bH-[1]benzofuro[2,3-b][1]benzofuran-1,3,8,10-tetrone
SMILESCC(C)C12OC3=C(C(=O)C(C)(C)C(=O)C3(C)C)C1C1=C(O2)C(C)(C)C(=O)C(C)(C)C1=O
InChIInChI=1S/C25H32O6/c1-11(2)25-14(12-15(26)21(3,4)19(28)23(7,8)17(12)30-25)13-16(27)22(5,6)20(29)24(9,10)18(13)31-25/h11,14H,1-10H3
InChIKeyOYIYCGXVBRNSGO-UHFFFAOYSA-N
MW428.53 g/mol
LogP3.93
Rot. Bonds1

About 2,2,4,4,7,7,9,9-octamethyl-5a-propan-2-yl-10bH-[1]benzofuro[2,3-b][1]benzofuran-1,3,8,10-tetrone

2,2,4,4,7,7,9,9-octamethyl-5a-propan-2-yl-10bH-[1]benzofuro[2,3-b][1]benzofuran-1,3,8,10-tetrone (PubChem CID 102521924) has the molecular formula C25H32O6 and a molecular weight of 428.53 g/mol. Its IUPAC name is 2,2,4,4,7,7,9,9-octamethyl-5a-propan-2-yl-10bH-[1]benzofuro[2,3-b][1]benzofuran-1,3,8,10-tetrone.

Molecular Properties

Compound Name2,2,4,4,7,7,9,9-octamethyl-5a-propan-2-yl-10bH-[1]benzofuro[2,3-b][1]benzofuran-1,3,8,10-tetrone
PubChem CID102521924
Molecular FormulaC25H32O6
Molecular Weight428.53 g/mol
Exact Mass428.22
IUPAC Name2,2,4,4,7,7,9,9-octamethyl-5a-propan-2-yl-10bH-[1]benzofuro[2,3-b][1]benzofuran-1,3,8,10-tetrone
SMILESCC(C)C12OC3=C(C(=O)C(C)(C)C(=O)C3(C)C)C1C1=C(O2)C(C)(C)C(=O)C(C)(C)C1=O
InChIInChI=1S/C25H32O6/c1-11(2)25-14(12-15(26)21(3,4)19(28)23(7,8)17(12)30-25)13-16(27)22(5,6)20(29)24(9,10)18(13)31-25/h11,14H,1-10H3
InChIKeyOYIYCGXVBRNSGO-UHFFFAOYSA-N
XLogP3.93
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,2,4,4,7,7,9,9-octamethyl-5a-propan-2-yl-10bH-[1]benzofuro[2,3-b][1]benzofuran-1,3,8,10-tetrone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,7,7,9,9-octamethyl-5a-propan-2-yl-10bH-[1]benzofuro[2,3-b][1]benzofuran-1,3,8,10-tetrone?
The IUPAC name of 2,2,4,4,7,7,9,9-octamethyl-5a-propan-2-yl-10bH-[1]benzofuro[2,3-b][1]benzofuran-1,3,8,10-tetrone (CID 102521924) is 2,2,4,4,7,7,9,9-octamethyl-5a-propan-2-yl-10bH-[1]benzofuro[2,3-b][1]benzofuran-1,3,8,10-tetrone.
What is the SMILES notation for 2,2,4,4,7,7,9,9-octamethyl-5a-propan-2-yl-10bH-[1]benzofuro[2,3-b][1]benzofuran-1,3,8,10-tetrone?
The canonical SMILES for 2,2,4,4,7,7,9,9-octamethyl-5a-propan-2-yl-10bH-[1]benzofuro[2,3-b][1]benzofuran-1,3,8,10-tetrone is CC(C)C12OC3=C(C(=O)C(C)(C)C(=O)C3(C)C)C1C1=C(O2)C(C)(C)C(=O)C(C)(C)C1=O.
What is the InChIKey of 2,2,4,4,7,7,9,9-octamethyl-5a-propan-2-yl-10bH-[1]benzofuro[2,3-b][1]benzofuran-1,3,8,10-tetrone?
The InChIKey is OYIYCGXVBRNSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32O6/c1-11(2)25-14(12-15(26)21(3,4)19(28)23(7,8)17(12)30-25)13-16(27)22(5,6)20(29)24(9,10)18(13)31-25/h11,14H,1-10H3.
What are the key properties of 2,2,4,4,7,7,9,9-octamethyl-5a-propan-2-yl-10bH-[1]benzofuro[2,3-b][1]benzofuran-1,3,8,10-tetrone?
2,2,4,4,7,7,9,9-octamethyl-5a-propan-2-yl-10bH-[1]benzofuro[2,3-b][1]benzofuran-1,3,8,10-tetrone has a molecular weight of 428.53 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,7,7,9,9-octamethyl-5a-propan-2-yl-10bH-[1]benzofuro[2,3-b][1]benzofuran-1,3,8,10-tetrone is sourced from PubChem (CID 102521924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).