1,2-diethynylcyclobutane

C8H8 — CID 12716156

IUPAC1,2-diethynylcyclobutane
SMILESC#CC1CCC1C#C
InChIInChI=1S/C8H8/c1-3-7-5-6-8(7)4-2/h1-2,7-8H,5-6H2
InChIKeyIUCJBQSKIYAXIK-UHFFFAOYSA-N
MW104.15 g/mol
LogP1.28
Rot. Bonds

About 1,2-diethynylcyclobutane

1,2-diethynylcyclobutane (PubChem CID 12716156) has the molecular formula C8H8 and a molecular weight of 104.15 g/mol. Its IUPAC name is 1,2-diethynylcyclobutane.

Molecular Properties

Compound Name1,2-diethynylcyclobutane
PubChem CID12716156
Molecular FormulaC8H8
Molecular Weight104.15 g/mol
Exact Mass104.06
IUPAC Name1,2-diethynylcyclobutane
SMILESC#CC1CCC1C#C
InChIInChI=1S/C8H8/c1-3-7-5-6-8(7)4-2/h1-2,7-8H,5-6H2
InChIKeyIUCJBQSKIYAXIK-UHFFFAOYSA-N
XLogP1.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 51.28
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 1,2-diethynylcyclobutane?
The IUPAC name of 1,2-diethynylcyclobutane (CID 12716156) is 1,2-diethynylcyclobutane.
What is the SMILES notation for 1,2-diethynylcyclobutane?
The canonical SMILES for 1,2-diethynylcyclobutane is C#CC1CCC1C#C.
What is the InChIKey of 1,2-diethynylcyclobutane?
The InChIKey is IUCJBQSKIYAXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8/c1-3-7-5-6-8(7)4-2/h1-2,7-8H,5-6H2.
What are the key properties of 1,2-diethynylcyclobutane?
1,2-diethynylcyclobutane has a molecular weight of 104.15 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethynylcyclobutane is sourced from PubChem (CID 12716156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).