but-2-en-2-ylcyclobutane

C8H14 — CID 54338528

IUPACbut-2-en-2-ylcyclobutane
SMILESCC=C(C)C1CCC1
InChIInChI=1S/C8H14/c1-3-7(2)8-5-4-6-8/h3,8H,4-6H2,1-2H3
InChIKeyTXGPKOMNZQLQAH-UHFFFAOYSA-N
MW110.20 g/mol
LogP2.75
Rot. Bonds1

About but-2-en-2-ylcyclobutane

but-2-en-2-ylcyclobutane (PubChem CID 54338528) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is but-2-en-2-ylcyclobutane.

Molecular Properties

Compound Namebut-2-en-2-ylcyclobutane
PubChem CID54338528
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Namebut-2-en-2-ylcyclobutane
SMILESCC=C(C)C1CCC1
InChIInChI=1S/C8H14/c1-3-7(2)8-5-4-6-8/h3,8H,4-6H2,1-2H3
InChIKeyTXGPKOMNZQLQAH-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-2-en-2-ylcyclobutane?
The IUPAC name of but-2-en-2-ylcyclobutane (CID 54338528) is but-2-en-2-ylcyclobutane.
What is the SMILES notation for but-2-en-2-ylcyclobutane?
The canonical SMILES for but-2-en-2-ylcyclobutane is CC=C(C)C1CCC1.
What is the InChIKey of but-2-en-2-ylcyclobutane?
The InChIKey is TXGPKOMNZQLQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14/c1-3-7(2)8-5-4-6-8/h3,8H,4-6H2,1-2H3.
What are the key properties of but-2-en-2-ylcyclobutane?
but-2-en-2-ylcyclobutane has a molecular weight of 110.20 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-en-2-ylcyclobutane is sourced from PubChem (CID 54338528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).