2-methyl-6-[2-(5-methyl-4,6-dioxocyclohex-2-en-1-ylidene)ethylidene]cyclohex-4-ene-1,3-dione

C16H14O4 — CID 173366384

IUPAC2-methyl-6-[2-(5-methyl-4,6-dioxocyclohex-2-en-1-ylidene)ethylidene]cyclohex-4-ene-1,3-dione
SMILESCC1C(=O)C=CC(=CC=C2C=CC(=O)C(C)C2=O)C1=O
InChIInChI=1S/C16H14O4/c1-9-13(17)7-5-11(15(9)19)3-4-12-6-8-14(18)10(2)16(12)20/h3-10H,1-2H3
InChIKeyJYPFIUQETQNMTC-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.53
Rot. Bonds1

About 2-methyl-6-[2-(5-methyl-4,6-dioxocyclohex-2-en-1-ylidene)ethylidene]cyclohex-4-ene-1,3-dione

2-methyl-6-[2-(5-methyl-4,6-dioxocyclohex-2-en-1-ylidene)ethylidene]cyclohex-4-ene-1,3-dione (PubChem CID 173366384) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-methyl-6-[2-(5-methyl-4,6-dioxocyclohex-2-en-1-ylidene)ethylidene]cyclohex-4-ene-1,3-dione.

Molecular Properties

Compound Name2-methyl-6-[2-(5-methyl-4,6-dioxocyclohex-2-en-1-ylidene)ethylidene]cyclohex-4-ene-1,3-dione
PubChem CID173366384
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name2-methyl-6-[2-(5-methyl-4,6-dioxocyclohex-2-en-1-ylidene)ethylidene]cyclohex-4-ene-1,3-dione
SMILESCC1C(=O)C=CC(=CC=C2C=CC(=O)C(C)C2=O)C1=O
InChIInChI=1S/C16H14O4/c1-9-13(17)7-5-11(15(9)19)3-4-12-6-8-14(18)10(2)16(12)20/h3-10H,1-2H3
InChIKeyJYPFIUQETQNMTC-UHFFFAOYSA-N
XLogP1.53
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-(5-methyl-4,6-dioxocyclohex-2-en-1-ylidene)ethylidene]cyclohex-4-ene-1,3-dione?
The IUPAC name of 2-methyl-6-[2-(5-methyl-4,6-dioxocyclohex-2-en-1-ylidene)ethylidene]cyclohex-4-ene-1,3-dione (CID 173366384) is 2-methyl-6-[2-(5-methyl-4,6-dioxocyclohex-2-en-1-ylidene)ethylidene]cyclohex-4-ene-1,3-dione.
What is the SMILES notation for 2-methyl-6-[2-(5-methyl-4,6-dioxocyclohex-2-en-1-ylidene)ethylidene]cyclohex-4-ene-1,3-dione?
The canonical SMILES for 2-methyl-6-[2-(5-methyl-4,6-dioxocyclohex-2-en-1-ylidene)ethylidene]cyclohex-4-ene-1,3-dione is CC1C(=O)C=CC(=CC=C2C=CC(=O)C(C)C2=O)C1=O.
What is the InChIKey of 2-methyl-6-[2-(5-methyl-4,6-dioxocyclohex-2-en-1-ylidene)ethylidene]cyclohex-4-ene-1,3-dione?
The InChIKey is JYPFIUQETQNMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-9-13(17)7-5-11(15(9)19)3-4-12-6-8-14(18)10(2)16(12)20/h3-10H,1-2H3.
What are the key properties of 2-methyl-6-[2-(5-methyl-4,6-dioxocyclohex-2-en-1-ylidene)ethylidene]cyclohex-4-ene-1,3-dione?
2-methyl-6-[2-(5-methyl-4,6-dioxocyclohex-2-en-1-ylidene)ethylidene]cyclohex-4-ene-1,3-dione has a molecular weight of 270.28 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-(5-methyl-4,6-dioxocyclohex-2-en-1-ylidene)ethylidene]cyclohex-4-ene-1,3-dione is sourced from PubChem (CID 173366384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).