4,4,4',4'-tetramethyl-2,2'-spirobi[3H-furo[3,4-g]chromene]-6,6',8,8'-tetrone

C25H20O8 — CID 139202978

IUPAC4,4,4',4'-tetramethyl-2,2'-spirobi[3H-furo[3,4-g]chromene]-6,6',8,8'-tetrone
SMILESCC1(C)CC2(CC(C)(C)c3cc4c(cc3O2)C(=O)OC4=O)Oc2cc3c(cc21)C(=O)OC3=O
InChIInChI=1S/C25H20O8/c1-23(2)9-25(32-17-7-13-11(5-15(17)23)19(26)30-21(13)28)10-24(3,4)16-6-12-14(8-18(16)33-25)22(29)31-20(12)27/h5-8H,9-10H2,1-4H3
InChIKeyZLJXHJCUBBXLOC-UHFFFAOYSA-N
MW448.43 g/mol
LogP3.82
Rot. Bonds

About 4,4,4',4'-tetramethyl-2,2'-spirobi[3H-furo[3,4-g]chromene]-6,6',8,8'-tetrone

4,4,4',4'-tetramethyl-2,2'-spirobi[3H-furo[3,4-g]chromene]-6,6',8,8'-tetrone (PubChem CID 139202978) has the molecular formula C25H20O8 and a molecular weight of 448.43 g/mol. Its IUPAC name is 4,4,4',4'-tetramethyl-2,2'-spirobi[3H-furo[3,4-g]chromene]-6,6',8,8'-tetrone.

Molecular Properties

Compound Name4,4,4',4'-tetramethyl-2,2'-spirobi[3H-furo[3,4-g]chromene]-6,6',8,8'-tetrone
PubChem CID139202978
Molecular FormulaC25H20O8
Molecular Weight448.43 g/mol
Exact Mass448.12
IUPAC Name4,4,4',4'-tetramethyl-2,2'-spirobi[3H-furo[3,4-g]chromene]-6,6',8,8'-tetrone
SMILESCC1(C)CC2(CC(C)(C)c3cc4c(cc3O2)C(=O)OC4=O)Oc2cc3c(cc21)C(=O)OC3=O
InChIInChI=1S/C25H20O8/c1-23(2)9-25(32-17-7-13-11(5-15(17)23)19(26)30-21(13)28)10-24(3,4)16-6-12-14(8-18(16)33-25)22(29)31-20(12)27/h5-8H,9-10H2,1-4H3
InChIKeyZLJXHJCUBBXLOC-UHFFFAOYSA-N
XLogP3.82
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.43
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4,4,4',4'-tetramethyl-2,2'-spirobi[3H-furo[3,4-g]chromene]-6,6',8,8'-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 4,4,4',4'-tetramethyl-2,2'-spirobi[3H-furo[3,4-g]chromene]-6,6',8,8'-tetrone?
The IUPAC name of 4,4,4',4'-tetramethyl-2,2'-spirobi[3H-furo[3,4-g]chromene]-6,6',8,8'-tetrone (CID 139202978) is 4,4,4',4'-tetramethyl-2,2'-spirobi[3H-furo[3,4-g]chromene]-6,6',8,8'-tetrone.
What is the SMILES notation for 4,4,4',4'-tetramethyl-2,2'-spirobi[3H-furo[3,4-g]chromene]-6,6',8,8'-tetrone?
The canonical SMILES for 4,4,4',4'-tetramethyl-2,2'-spirobi[3H-furo[3,4-g]chromene]-6,6',8,8'-tetrone is CC1(C)CC2(CC(C)(C)c3cc4c(cc3O2)C(=O)OC4=O)Oc2cc3c(cc21)C(=O)OC3=O.
What is the InChIKey of 4,4,4',4'-tetramethyl-2,2'-spirobi[3H-furo[3,4-g]chromene]-6,6',8,8'-tetrone?
The InChIKey is ZLJXHJCUBBXLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O8/c1-23(2)9-25(32-17-7-13-11(5-15(17)23)19(26)30-21(13)28)10-24(3,4)16-6-12-14(8-18(16)33-25)22(29)31-20(12)27/h5-8H,9-10H2,1-4H3.
What are the key properties of 4,4,4',4'-tetramethyl-2,2'-spirobi[3H-furo[3,4-g]chromene]-6,6',8,8'-tetrone?
4,4,4',4'-tetramethyl-2,2'-spirobi[3H-furo[3,4-g]chromene]-6,6',8,8'-tetrone has a molecular weight of 448.43 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4',4'-tetramethyl-2,2'-spirobi[3H-furo[3,4-g]chromene]-6,6',8,8'-tetrone is sourced from PubChem (CID 139202978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).