[(E)-but-2-en-2-yl]cyclobutane

C8H14 — CID 90892922

IUPAC[(E)-but-2-en-2-yl]cyclobutane
SMILESC/C=C(\C)C1CCC1
InChIInChI=1S/C8H14/c1-3-7(2)8-5-4-6-8/h3,8H,4-6H2,1-2H3/b7-3+
InChIKeyTXGPKOMNZQLQAH-XVNBXDOJSA-N
MW110.20 g/mol
LogP2.75
Rot. Bonds1

About [(E)-but-2-en-2-yl]cyclobutane

[(E)-but-2-en-2-yl]cyclobutane (PubChem CID 90892922) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is [(E)-but-2-en-2-yl]cyclobutane.

Molecular Properties

Compound Name[(E)-but-2-en-2-yl]cyclobutane
PubChem CID90892922
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name[(E)-but-2-en-2-yl]cyclobutane
SMILESC/C=C(\C)C1CCC1
InChIInChI=1S/C8H14/c1-3-7(2)8-5-4-6-8/h3,8H,4-6H2,1-2H3/b7-3+
InChIKeyTXGPKOMNZQLQAH-XVNBXDOJSA-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'}

Analyze [(E)-but-2-en-2-yl]cyclobutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(E)-but-2-en-2-yl]cyclobutane?
The IUPAC name of [(E)-but-2-en-2-yl]cyclobutane (CID 90892922) is [(E)-but-2-en-2-yl]cyclobutane.
What is the SMILES notation for [(E)-but-2-en-2-yl]cyclobutane?
The canonical SMILES for [(E)-but-2-en-2-yl]cyclobutane is C/C=C(\C)C1CCC1.
What is the InChIKey of [(E)-but-2-en-2-yl]cyclobutane?
The InChIKey is TXGPKOMNZQLQAH-XVNBXDOJSA-N. The full InChI is InChI=1S/C8H14/c1-3-7(2)8-5-4-6-8/h3,8H,4-6H2,1-2H3/b7-3+.
What are the key properties of [(E)-but-2-en-2-yl]cyclobutane?
[(E)-but-2-en-2-yl]cyclobutane 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 [(E)-but-2-en-2-yl]cyclobutane is sourced from PubChem (CID 90892922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).