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

C12H18O2 — CID 142307349

IUPACethane;2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione
SMILESCC.CC1=C(C)C(=O)C(C)=C(C)C1=O
InChIInChI=1S/C10H12O2.C2H6/c1-5-6(2)10(12)8(4)7(3)9(5)11;1-2/h1-4H3;1-2H3
InChIKeyDRZNGJIQZCMLKH-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.84
Rot. Bonds

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

ethane;2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione (PubChem CID 142307349) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is ethane;2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Nameethane;2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione
PubChem CID142307349
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Nameethane;2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione
SMILESCC.CC1=C(C)C(=O)C(C)=C(C)C1=O
InChIInChI=1S/C10H12O2.C2H6/c1-5-6(2)10(12)8(4)7(3)9(5)11;1-2/h1-4H3;1-2H3
InChIKeyDRZNGJIQZCMLKH-UHFFFAOYSA-N
XLogP2.84
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.84
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 ethane;2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione?
The IUPAC name of ethane;2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione (CID 142307349) is ethane;2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for ethane;2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for ethane;2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione is CC.CC1=C(C)C(=O)C(C)=C(C)C1=O.
What is the InChIKey of ethane;2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione?
The InChIKey is DRZNGJIQZCMLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.C2H6/c1-5-6(2)10(12)8(4)7(3)9(5)11;1-2/h1-4H3;1-2H3.
What are the key properties of ethane;2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione?
ethane;2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione has a molecular weight of 194.27 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,3,5,6-tetramethylcyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 142307349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).