1-ethenyl-4-ethynylcyclobutene

C8H8 — CID 86013823

IUPAC1-ethenyl-4-ethynylcyclobutene
SMILESC#CC1CC=C1C=C
InChIInChI=1S/C8H8/c1-3-7-5-6-8(7)4-2/h1,4,6-7H,2,5H2
InChIKeyBQGLKLGUBFLWJK-UHFFFAOYSA-N
MW104.15 g/mol
LogP1.75
Rot. Bonds1

About 1-ethenyl-4-ethynylcyclobutene

1-ethenyl-4-ethynylcyclobutene (PubChem CID 86013823) has the molecular formula C8H8 and a molecular weight of 104.15 g/mol. Its IUPAC name is 1-ethenyl-4-ethynylcyclobutene.

Molecular Properties

Compound Name1-ethenyl-4-ethynylcyclobutene
PubChem CID86013823
Molecular FormulaC8H8
Molecular Weight104.15 g/mol
Exact Mass104.06
IUPAC Name1-ethenyl-4-ethynylcyclobutene
SMILESC#CC1CC=C1C=C
InChIInChI=1S/C8H8/c1-3-7-5-6-8(7)4-2/h1,4,6-7H,2,5H2
InChIKeyBQGLKLGUBFLWJK-UHFFFAOYSA-N
XLogP1.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-ethynylcyclobutene?
The IUPAC name of 1-ethenyl-4-ethynylcyclobutene (CID 86013823) is 1-ethenyl-4-ethynylcyclobutene.
What is the SMILES notation for 1-ethenyl-4-ethynylcyclobutene?
The canonical SMILES for 1-ethenyl-4-ethynylcyclobutene is C#CC1CC=C1C=C.
What is the InChIKey of 1-ethenyl-4-ethynylcyclobutene?
The InChIKey is BQGLKLGUBFLWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8/c1-3-7-5-6-8(7)4-2/h1,4,6-7H,2,5H2.
What are the key properties of 1-ethenyl-4-ethynylcyclobutene?
1-ethenyl-4-ethynylcyclobutene has a molecular weight of 104.15 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-ethynylcyclobutene is sourced from PubChem (CID 86013823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).