6a-methyl-9-(2-methylbutanoyl)-3-(6-methyl-2-oxocyclohex-3-en-1-yl)-9,9a-dihydrofuro[2,3-h]isochromene-6,8-dione

C24H26O6 — CID 163019291

IUPAC6a-methyl-9-(2-methylbutanoyl)-3-(6-methyl-2-oxocyclohex-3-en-1-yl)-9,9a-dihydrofuro[2,3-h]isochromene-6,8-dione
SMILESCCC(C)C(=O)C1C(=O)OC2(C)C(=O)C=C3C=C(C4C(=O)C=CCC4C)OC=C3C12
InChIInChI=1S/C24H26O6/c1-5-12(2)22(27)20-21-15-11-29-17(19-13(3)7-6-8-16(19)25)9-14(15)10-18(26)24(21,4)30-23(20)28/h6,8-13,19-21H,5,7H2,1-4H3
InChIKeyXWZLEZYQBPPTPD-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.24
Rot. Bonds4

About 6a-methyl-9-(2-methylbutanoyl)-3-(6-methyl-2-oxocyclohex-3-en-1-yl)-9,9a-dihydrofuro[2,3-h]isochromene-6,8-dione

6a-methyl-9-(2-methylbutanoyl)-3-(6-methyl-2-oxocyclohex-3-en-1-yl)-9,9a-dihydrofuro[2,3-h]isochromene-6,8-dione (PubChem CID 163019291) has the molecular formula C24H26O6 and a molecular weight of 410.47 g/mol. Its IUPAC name is 6a-methyl-9-(2-methylbutanoyl)-3-(6-methyl-2-oxocyclohex-3-en-1-yl)-9,9a-dihydrofuro[2,3-h]isochromene-6,8-dione.

Molecular Properties

Compound Name6a-methyl-9-(2-methylbutanoyl)-3-(6-methyl-2-oxocyclohex-3-en-1-yl)-9,9a-dihydrofuro[2,3-h]isochromene-6,8-dione
PubChem CID163019291
Molecular FormulaC24H26O6
Molecular Weight410.47 g/mol
Exact Mass410.17
IUPAC Name6a-methyl-9-(2-methylbutanoyl)-3-(6-methyl-2-oxocyclohex-3-en-1-yl)-9,9a-dihydrofuro[2,3-h]isochromene-6,8-dione
SMILESCCC(C)C(=O)C1C(=O)OC2(C)C(=O)C=C3C=C(C4C(=O)C=CCC4C)OC=C3C12
InChIInChI=1S/C24H26O6/c1-5-12(2)22(27)20-21-15-11-29-17(19-13(3)7-6-8-16(19)25)9-14(15)10-18(26)24(21,4)30-23(20)28/h6,8-13,19-21H,5,7H2,1-4H3
InChIKeyXWZLEZYQBPPTPD-UHFFFAOYSA-N
XLogP3.24
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6a-methyl-9-(2-methylbutanoyl)-3-(6-methyl-2-oxocyclohex-3-en-1-yl)-9,9a-dihydrofuro[2,3-h]isochromene-6,8-dione 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 6a-methyl-9-(2-methylbutanoyl)-3-(6-methyl-2-oxocyclohex-3-en-1-yl)-9,9a-dihydrofuro[2,3-h]isochromene-6,8-dione?
The IUPAC name of 6a-methyl-9-(2-methylbutanoyl)-3-(6-methyl-2-oxocyclohex-3-en-1-yl)-9,9a-dihydrofuro[2,3-h]isochromene-6,8-dione (CID 163019291) is 6a-methyl-9-(2-methylbutanoyl)-3-(6-methyl-2-oxocyclohex-3-en-1-yl)-9,9a-dihydrofuro[2,3-h]isochromene-6,8-dione.
What is the SMILES notation for 6a-methyl-9-(2-methylbutanoyl)-3-(6-methyl-2-oxocyclohex-3-en-1-yl)-9,9a-dihydrofuro[2,3-h]isochromene-6,8-dione?
The canonical SMILES for 6a-methyl-9-(2-methylbutanoyl)-3-(6-methyl-2-oxocyclohex-3-en-1-yl)-9,9a-dihydrofuro[2,3-h]isochromene-6,8-dione is CCC(C)C(=O)C1C(=O)OC2(C)C(=O)C=C3C=C(C4C(=O)C=CCC4C)OC=C3C12.
What is the InChIKey of 6a-methyl-9-(2-methylbutanoyl)-3-(6-methyl-2-oxocyclohex-3-en-1-yl)-9,9a-dihydrofuro[2,3-h]isochromene-6,8-dione?
The InChIKey is XWZLEZYQBPPTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O6/c1-5-12(2)22(27)20-21-15-11-29-17(19-13(3)7-6-8-16(19)25)9-14(15)10-18(26)24(21,4)30-23(20)28/h6,8-13,19-21H,5,7H2,1-4H3.
What are the key properties of 6a-methyl-9-(2-methylbutanoyl)-3-(6-methyl-2-oxocyclohex-3-en-1-yl)-9,9a-dihydrofuro[2,3-h]isochromene-6,8-dione?
6a-methyl-9-(2-methylbutanoyl)-3-(6-methyl-2-oxocyclohex-3-en-1-yl)-9,9a-dihydrofuro[2,3-h]isochromene-6,8-dione has a molecular weight of 410.47 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6a-methyl-9-(2-methylbutanoyl)-3-(6-methyl-2-oxocyclohex-3-en-1-yl)-9,9a-dihydrofuro[2,3-h]isochromene-6,8-dione is sourced from PubChem (CID 163019291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).