1-ethenyl-3-ethenylbenzene

C10H8 — CID 102253224

IUPAC1-ethenyl-3-ethenylbenzene
SMILES[H]/[C+]=C/c1cccc(/C=[C-]/[H])c1
InChIInChI=1S/C10H8/c1-3-9-6-5-7-10(4-2)8-9/h1-8H
InChIKeyOBBIBNYEGFGKIC-UHFFFAOYSA-N
MW128.17 g/mol
LogP2.58
Rot. Bonds2

About 1-ethenyl-3-ethenylbenzene

1-ethenyl-3-ethenylbenzene (PubChem CID 102253224) has the molecular formula C10H8 and a molecular weight of 128.17 g/mol. Its IUPAC name is 1-ethenyl-3-ethenylbenzene.

Molecular Properties

Compound Name1-ethenyl-3-ethenylbenzene
PubChem CID102253224
Molecular FormulaC10H8
Molecular Weight128.17 g/mol
Exact Mass128.06
IUPAC Name1-ethenyl-3-ethenylbenzene
SMILES[H]/[C+]=C/c1cccc(/C=[C-]/[H])c1
InChIInChI=1S/C10H8/c1-3-9-6-5-7-10(4-2)8-9/h1-8H
InChIKeyOBBIBNYEGFGKIC-UHFFFAOYSA-N
XLogP2.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 52.58
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-3-ethenylbenzene?
The IUPAC name of 1-ethenyl-3-ethenylbenzene (CID 102253224) is 1-ethenyl-3-ethenylbenzene.
What is the SMILES notation for 1-ethenyl-3-ethenylbenzene?
The canonical SMILES for 1-ethenyl-3-ethenylbenzene is [H]/[C+]=C/c1cccc(/C=[C-]/[H])c1.
What is the InChIKey of 1-ethenyl-3-ethenylbenzene?
The InChIKey is OBBIBNYEGFGKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8/c1-3-9-6-5-7-10(4-2)8-9/h1-8H.
What are the key properties of 1-ethenyl-3-ethenylbenzene?
1-ethenyl-3-ethenylbenzene has a molecular weight of 128.17 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-ethenylbenzene is sourced from PubChem (CID 102253224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).