1-cyclobutylcyclobutene

C8H12 — CID 556361

IUPAC1-cyclobutylcyclobutene
SMILESC1=C(C2CCC2)CC1
InChIInChI=1S/C8H12/c1-3-7(4-1)8-5-2-6-8/h3,8H,1-2,4-6H2
InChIKeyIOMTYJMCCGAODT-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.51
Rot. Bonds1

About 1-cyclobutylcyclobutene

1-cyclobutylcyclobutene (PubChem CID 556361) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 1-cyclobutylcyclobutene.

Molecular Properties

Compound Name1-cyclobutylcyclobutene
PubChem CID556361
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name1-cyclobutylcyclobutene
SMILESC1=C(C2CCC2)CC1
InChIInChI=1S/C8H12/c1-3-7(4-1)8-5-2-6-8/h3,8H,1-2,4-6H2
InChIKeyIOMTYJMCCGAODT-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
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 1-cyclobutylcyclobutene?
The IUPAC name of 1-cyclobutylcyclobutene (CID 556361) is 1-cyclobutylcyclobutene.
What is the SMILES notation for 1-cyclobutylcyclobutene?
The canonical SMILES for 1-cyclobutylcyclobutene is C1=C(C2CCC2)CC1.
What is the InChIKey of 1-cyclobutylcyclobutene?
The InChIKey is IOMTYJMCCGAODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-3-7(4-1)8-5-2-6-8/h3,8H,1-2,4-6H2.
What are the key properties of 1-cyclobutylcyclobutene?
1-cyclobutylcyclobutene has a molecular weight of 108.18 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylcyclobutene is sourced from PubChem (CID 556361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).