5-ethenylcyclohex-2-ene-1,4-dione

C8H8O2 — CID 102077325

IUPAC5-ethenylcyclohex-2-ene-1,4-dione
SMILESC=CC1CC(=O)C=CC1=O
InChIInChI=1S/C8H8O2/c1-2-6-5-7(9)3-4-8(6)10/h2-4,6H,1,5H2
InChIKeyBKFYPUQEMMYKOW-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.89
Rot. Bonds1

About 5-ethenylcyclohex-2-ene-1,4-dione

5-ethenylcyclohex-2-ene-1,4-dione (PubChem CID 102077325) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is 5-ethenylcyclohex-2-ene-1,4-dione.

Molecular Properties

Compound Name5-ethenylcyclohex-2-ene-1,4-dione
PubChem CID102077325
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name5-ethenylcyclohex-2-ene-1,4-dione
SMILESC=CC1CC(=O)C=CC1=O
InChIInChI=1S/C8H8O2/c1-2-6-5-7(9)3-4-8(6)10/h2-4,6H,1,5H2
InChIKeyBKFYPUQEMMYKOW-UHFFFAOYSA-N
XLogP0.89
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethenylcyclohex-2-ene-1,4-dione?
The IUPAC name of 5-ethenylcyclohex-2-ene-1,4-dione (CID 102077325) is 5-ethenylcyclohex-2-ene-1,4-dione.
What is the SMILES notation for 5-ethenylcyclohex-2-ene-1,4-dione?
The canonical SMILES for 5-ethenylcyclohex-2-ene-1,4-dione is C=CC1CC(=O)C=CC1=O.
What is the InChIKey of 5-ethenylcyclohex-2-ene-1,4-dione?
The InChIKey is BKFYPUQEMMYKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2/c1-2-6-5-7(9)3-4-8(6)10/h2-4,6H,1,5H2.
What are the key properties of 5-ethenylcyclohex-2-ene-1,4-dione?
5-ethenylcyclohex-2-ene-1,4-dione has a molecular weight of 136.15 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenylcyclohex-2-ene-1,4-dione is sourced from PubChem (CID 102077325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).