4-methoxy-6-[1-(3-methoxy-5,5-dimethyl-4,6-dioxocyclohex-2-en-1-yl)ethylidene]-2,2-dimethylcyclohex-4-ene-1,3-dione

C20H24O6 — CID 67942437

IUPAC4-methoxy-6-[1-(3-methoxy-5,5-dimethyl-4,6-dioxocyclohex-2-en-1-yl)ethylidene]-2,2-dimethylcyclohex-4-ene-1,3-dione
SMILESCOC1=CC(=C(C)C2C=C(OC)C(=O)C(C)(C)C2=O)C(=O)C(C)(C)C1=O
InChIInChI=1S/C20H24O6/c1-10(11-8-13(25-6)17(23)19(2,3)15(11)21)12-9-14(26-7)18(24)20(4,5)16(12)22/h8-9,11H,1-7H3
InChIKeyCLXVOQPZVGMPIJ-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.34
Rot. Bonds3

About 4-methoxy-6-[1-(3-methoxy-5,5-dimethyl-4,6-dioxocyclohex-2-en-1-yl)ethylidene]-2,2-dimethylcyclohex-4-ene-1,3-dione

4-methoxy-6-[1-(3-methoxy-5,5-dimethyl-4,6-dioxocyclohex-2-en-1-yl)ethylidene]-2,2-dimethylcyclohex-4-ene-1,3-dione (PubChem CID 67942437) has the molecular formula C20H24O6 and a molecular weight of 360.41 g/mol. Its IUPAC name is 4-methoxy-6-[1-(3-methoxy-5,5-dimethyl-4,6-dioxocyclohex-2-en-1-yl)ethylidene]-2,2-dimethylcyclohex-4-ene-1,3-dione.

Molecular Properties

Compound Name4-methoxy-6-[1-(3-methoxy-5,5-dimethyl-4,6-dioxocyclohex-2-en-1-yl)ethylidene]-2,2-dimethylcyclohex-4-ene-1,3-dione
PubChem CID67942437
Molecular FormulaC20H24O6
Molecular Weight360.41 g/mol
Exact Mass360.16
IUPAC Name4-methoxy-6-[1-(3-methoxy-5,5-dimethyl-4,6-dioxocyclohex-2-en-1-yl)ethylidene]-2,2-dimethylcyclohex-4-ene-1,3-dione
SMILESCOC1=CC(=C(C)C2C=C(OC)C(=O)C(C)(C)C2=O)C(=O)C(C)(C)C1=O
InChIInChI=1S/C20H24O6/c1-10(11-8-13(25-6)17(23)19(2,3)15(11)21)12-9-14(26-7)18(24)20(4,5)16(12)22/h8-9,11H,1-7H3
InChIKeyCLXVOQPZVGMPIJ-UHFFFAOYSA-N
XLogP2.34
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-methoxy-6-[1-(3-methoxy-5,5-dimethyl-4,6-dioxocyclohex-2-en-1-yl)ethylidene]-2,2-dimethylcyclohex-4-ene-1,3-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 4-methoxy-6-[1-(3-methoxy-5,5-dimethyl-4,6-dioxocyclohex-2-en-1-yl)ethylidene]-2,2-dimethylcyclohex-4-ene-1,3-dione?
The IUPAC name of 4-methoxy-6-[1-(3-methoxy-5,5-dimethyl-4,6-dioxocyclohex-2-en-1-yl)ethylidene]-2,2-dimethylcyclohex-4-ene-1,3-dione (CID 67942437) is 4-methoxy-6-[1-(3-methoxy-5,5-dimethyl-4,6-dioxocyclohex-2-en-1-yl)ethylidene]-2,2-dimethylcyclohex-4-ene-1,3-dione.
What is the SMILES notation for 4-methoxy-6-[1-(3-methoxy-5,5-dimethyl-4,6-dioxocyclohex-2-en-1-yl)ethylidene]-2,2-dimethylcyclohex-4-ene-1,3-dione?
The canonical SMILES for 4-methoxy-6-[1-(3-methoxy-5,5-dimethyl-4,6-dioxocyclohex-2-en-1-yl)ethylidene]-2,2-dimethylcyclohex-4-ene-1,3-dione is COC1=CC(=C(C)C2C=C(OC)C(=O)C(C)(C)C2=O)C(=O)C(C)(C)C1=O.
What is the InChIKey of 4-methoxy-6-[1-(3-methoxy-5,5-dimethyl-4,6-dioxocyclohex-2-en-1-yl)ethylidene]-2,2-dimethylcyclohex-4-ene-1,3-dione?
The InChIKey is CLXVOQPZVGMPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O6/c1-10(11-8-13(25-6)17(23)19(2,3)15(11)21)12-9-14(26-7)18(24)20(4,5)16(12)22/h8-9,11H,1-7H3.
What are the key properties of 4-methoxy-6-[1-(3-methoxy-5,5-dimethyl-4,6-dioxocyclohex-2-en-1-yl)ethylidene]-2,2-dimethylcyclohex-4-ene-1,3-dione?
4-methoxy-6-[1-(3-methoxy-5,5-dimethyl-4,6-dioxocyclohex-2-en-1-yl)ethylidene]-2,2-dimethylcyclohex-4-ene-1,3-dione has a molecular weight of 360.41 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[1-(3-methoxy-5,5-dimethyl-4,6-dioxocyclohex-2-en-1-yl)ethylidene]-2,2-dimethylcyclohex-4-ene-1,3-dione is sourced from PubChem (CID 67942437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).