cyclohexa-2,5-diene-1,4-dione;ethane

C8H10O2 — CID 91596056

IUPACcyclohexa-2,5-diene-1,4-dione;ethane
SMILESCC.O=C1C=CC(=O)C=C1
InChIInChI=1S/C6H4O2.C2H6/c7-5-1-2-6(8)4-3-5;1-2/h1-4H;1-2H3
InChIKeySUWNVFFEBXKOOP-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.28
Rot. Bonds

About cyclohexa-2,5-diene-1,4-dione;ethane

cyclohexa-2,5-diene-1,4-dione;ethane (PubChem CID 91596056) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is cyclohexa-2,5-diene-1,4-dione;ethane.

Molecular Properties

Compound Namecyclohexa-2,5-diene-1,4-dione;ethane
PubChem CID91596056
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Namecyclohexa-2,5-diene-1,4-dione;ethane
SMILESCC.O=C1C=CC(=O)C=C1
InChIInChI=1S/C6H4O2.C2H6/c7-5-1-2-6(8)4-3-5;1-2/h1-4H;1-2H3
InChIKeySUWNVFFEBXKOOP-UHFFFAOYSA-N
XLogP1.28
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.28
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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Related Compounds

cyclohexa-2,5-diene-1,4-dione;trihydrobromide
CID 172830306
cyclohexa-2,5-diene-1,4-dione;methoxymethane
CID 66691489
cyclohexa-2,5-diene-1,4-dione;molecular hydrogen
CID 174719917
ethane;4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
CID 91278460
cyclohexa-2,5-diene-1,4-dione;propan-2-amine
CID 175470466
cyclohexa-2,5-dien-1-one;ethane
CID 90976592
cyclohexa-2,5-diene-1,4-dione;methane;phosphoric acid
CID 174774477
cyclohexa-2,5-diene-1,4-dione;2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione
CID 69425131
tris(cyclohexa-2,5-diene-1,4-dione);ethane;methane;molecular iodine;bis(1,4-xylene);ditriiodide;hydroiodide
CID 159704406
ethane;4-phenyliminocyclohexa-2,5-dien-1-one
CID 91171720
2-methylcyclohexa-2,5-diene-1,4-dione
CID 141014502
(4R,5R)-4,5-dihydroxycyclohepta-2,6-dien-1-one
CID 130834340

Frequently Asked Questions

What is the IUPAC name of cyclohexa-2,5-diene-1,4-dione;ethane?
The IUPAC name of cyclohexa-2,5-diene-1,4-dione;ethane (CID 91596056) is cyclohexa-2,5-diene-1,4-dione;ethane.
What is the SMILES notation for cyclohexa-2,5-diene-1,4-dione;ethane?
The canonical SMILES for cyclohexa-2,5-diene-1,4-dione;ethane is CC.O=C1C=CC(=O)C=C1.
What is the InChIKey of cyclohexa-2,5-diene-1,4-dione;ethane?
The InChIKey is SUWNVFFEBXKOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4O2.C2H6/c7-5-1-2-6(8)4-3-5;1-2/h1-4H;1-2H3.
What are the key properties of cyclohexa-2,5-diene-1,4-dione;ethane?
cyclohexa-2,5-diene-1,4-dione;ethane has a molecular weight of 138.17 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-2,5-diene-1,4-dione;ethane is sourced from PubChem (CID 91596056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).