cyclohexane-1,4-dione;ethene

C8H12O2 — CID 22146617

IUPACcyclohexane-1,4-dione;ethene
SMILESC=C.O=C1CCC(=O)CC1
InChIInChI=1S/C6H8O2.C2H4/c7-5-1-2-6(8)4-3-5;1-2/h1-4H2;1-2H2
InChIKeyAFRHZIJMWXFWKP-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.50
Rot. Bonds

About cyclohexane-1,4-dione;ethene

cyclohexane-1,4-dione;ethene (PubChem CID 22146617) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is cyclohexane-1,4-dione;ethene.

Molecular Properties

Compound Namecyclohexane-1,4-dione;ethene
PubChem CID22146617
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Namecyclohexane-1,4-dione;ethene
SMILESC=C.O=C1CCC(=O)CC1
InChIInChI=1S/C6H8O2.C2H4/c7-5-1-2-6(8)4-3-5;1-2/h1-4H2;1-2H2
InChIKeyAFRHZIJMWXFWKP-UHFFFAOYSA-N
XLogP1.50
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.50
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 cyclohexane-1,4-dione;ethene?
The IUPAC name of cyclohexane-1,4-dione;ethene (CID 22146617) is cyclohexane-1,4-dione;ethene.
What is the SMILES notation for cyclohexane-1,4-dione;ethene?
The canonical SMILES for cyclohexane-1,4-dione;ethene is C=C.O=C1CCC(=O)CC1.
What is the InChIKey of cyclohexane-1,4-dione;ethene?
The InChIKey is AFRHZIJMWXFWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2.C2H4/c7-5-1-2-6(8)4-3-5;1-2/h1-4H2;1-2H2.
What are the key properties of cyclohexane-1,4-dione;ethene?
cyclohexane-1,4-dione;ethene has a molecular weight of 140.18 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,4-dione;ethene is sourced from PubChem (CID 22146617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).