ethenylcyclobutadiene

C6H6 — CID 71380677

IUPACethenylcyclobutadiene
SMILESC=CC1=CC=C1
InChIInChI=1S/C6H6/c1-2-6-4-3-5-6/h2-5H,1H2
InChIKeyKZDURZABPHPZHJ-UHFFFAOYSA-N
MW78.11 g/mol
LogP1.67
Rot. Bonds1

About ethenylcyclobutadiene

ethenylcyclobutadiene (PubChem CID 71380677) has the molecular formula C6H6 and a molecular weight of 78.11 g/mol. Its IUPAC name is ethenylcyclobutadiene.

Molecular Properties

Compound Nameethenylcyclobutadiene
PubChem CID71380677
Molecular FormulaC6H6
Molecular Weight78.11 g/mol
Exact Mass78.05
IUPAC Nameethenylcyclobutadiene
SMILESC=CC1=CC=C1
InChIInChI=1S/C6H6/c1-2-6-4-3-5-6/h2-5H,1H2
InChIKeyKZDURZABPHPZHJ-UHFFFAOYSA-N
XLogP1.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.11
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethenylcyclobutadiene?
The IUPAC name of ethenylcyclobutadiene (CID 71380677) is ethenylcyclobutadiene.
What is the SMILES notation for ethenylcyclobutadiene?
The canonical SMILES for ethenylcyclobutadiene is C=CC1=CC=C1.
What is the InChIKey of ethenylcyclobutadiene?
The InChIKey is KZDURZABPHPZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6/c1-2-6-4-3-5-6/h2-5H,1H2.
What are the key properties of ethenylcyclobutadiene?
ethenylcyclobutadiene has a molecular weight of 78.11 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethenylcyclobutadiene is sourced from PubChem (CID 71380677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).