1-ethenyl-4-ethenylbenzene

C10H9+ — CID 58473643

IUPAC1-ethenyl-4-ethenylbenzene
SMILES[H]/[C+]=C/c1ccc(C=C)cc1
InChIInChI=1S/C10H9/c1-3-9-5-7-10(4-2)8-6-9/h1,3-8H,2H2/q+1
InChIKeyJOUGLFXSCHSTOL-UHFFFAOYSA-N
MW129.18 g/mol
LogP2.78
Rot. Bonds2

About 1-ethenyl-4-ethenylbenzene

1-ethenyl-4-ethenylbenzene (PubChem CID 58473643) has the molecular formula C10H9+ and a molecular weight of 129.18 g/mol. Its IUPAC name is 1-ethenyl-4-ethenylbenzene.

Molecular Properties

Compound Name1-ethenyl-4-ethenylbenzene
PubChem CID58473643
Molecular FormulaC10H9+
Molecular Weight129.18 g/mol
Exact Mass129.07
IUPAC Name1-ethenyl-4-ethenylbenzene
SMILES[H]/[C+]=C/c1ccc(C=C)cc1
InChIInChI=1S/C10H9/c1-3-9-5-7-10(4-2)8-6-9/h1,3-8H,2H2/q+1
InChIKeyJOUGLFXSCHSTOL-UHFFFAOYSA-N
XLogP2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-ethenylbenzene?
The IUPAC name of 1-ethenyl-4-ethenylbenzene (CID 58473643) is 1-ethenyl-4-ethenylbenzene.
What is the SMILES notation for 1-ethenyl-4-ethenylbenzene?
The canonical SMILES for 1-ethenyl-4-ethenylbenzene is [H]/[C+]=C/c1ccc(C=C)cc1.
What is the InChIKey of 1-ethenyl-4-ethenylbenzene?
The InChIKey is JOUGLFXSCHSTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9/c1-3-9-5-7-10(4-2)8-6-9/h1,3-8H,2H2/q+1.
What are the key properties of 1-ethenyl-4-ethenylbenzene?
1-ethenyl-4-ethenylbenzene has a molecular weight of 129.18 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-ethenylbenzene is sourced from PubChem (CID 58473643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).