but-3-yn-2-ylcyclobutane

C8H12 — CID 123211924

IUPACbut-3-yn-2-ylcyclobutane
SMILESC#CC(C)C1CCC1
InChIInChI=1S/C8H12/c1-3-7(2)8-5-4-6-8/h1,7-8H,4-6H2,2H3
InChIKeyZQLDQYYSFFABBI-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.06
Rot. Bonds1

About but-3-yn-2-ylcyclobutane

but-3-yn-2-ylcyclobutane (PubChem CID 123211924) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is but-3-yn-2-ylcyclobutane.

Molecular Properties

Compound Namebut-3-yn-2-ylcyclobutane
PubChem CID123211924
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Namebut-3-yn-2-ylcyclobutane
SMILESC#CC(C)C1CCC1
InChIInChI=1S/C8H12/c1-3-7(2)8-5-4-6-8/h1,7-8H,4-6H2,2H3
InChIKeyZQLDQYYSFFABBI-UHFFFAOYSA-N
XLogP2.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.06
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 but-3-yn-2-ylcyclobutane?
The IUPAC name of but-3-yn-2-ylcyclobutane (CID 123211924) is but-3-yn-2-ylcyclobutane.
What is the SMILES notation for but-3-yn-2-ylcyclobutane?
The canonical SMILES for but-3-yn-2-ylcyclobutane is C#CC(C)C1CCC1.
What is the InChIKey of but-3-yn-2-ylcyclobutane?
The InChIKey is ZQLDQYYSFFABBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-3-7(2)8-5-4-6-8/h1,7-8H,4-6H2,2H3.
What are the key properties of but-3-yn-2-ylcyclobutane?
but-3-yn-2-ylcyclobutane has a molecular weight of 108.18 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-yn-2-ylcyclobutane is sourced from PubChem (CID 123211924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).