methane;2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione

C11H16O2 — CID 159493384

IUPACmethane;2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione
SMILESC.CC1=C(C)C(=O)C(C)=C(C)C1=O
InChIInChI=1S/C10H12O2.CH4/c1-5-6(2)10(12)8(4)7(3)9(5)11;/h1-4H3;1H4
InChIKeyLYLYTBFDFUXVSO-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.45
Rot. Bonds

About methane;2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione

methane;2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione (PubChem CID 159493384) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is methane;2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Namemethane;2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione
PubChem CID159493384
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Namemethane;2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione
SMILESC.CC1=C(C)C(=O)C(C)=C(C)C1=O
InChIInChI=1S/C10H12O2.CH4/c1-5-6(2)10(12)8(4)7(3)9(5)11;/h1-4H3;1H4
InChIKeyLYLYTBFDFUXVSO-UHFFFAOYSA-N
XLogP2.45
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methane;2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione?
The IUPAC name of methane;2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione (CID 159493384) is methane;2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for methane;2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for methane;2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione is C.CC1=C(C)C(=O)C(C)=C(C)C1=O.
What is the InChIKey of methane;2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione?
The InChIKey is LYLYTBFDFUXVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.CH4/c1-5-6(2)10(12)8(4)7(3)9(5)11;/h1-4H3;1H4.
What are the key properties of methane;2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione?
methane;2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione has a molecular weight of 180.25 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 159493384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).