2-cyclobut-2-en-1-yloxirane

C6H8O — CID 150243675

IUPAC2-cyclobut-2-en-1-yloxirane
SMILESC1=CC(C2CO2)C1
InChIInChI=1S/C6H8O/c1-2-5(3-1)6-4-7-6/h1-2,5-6H,3-4H2
InChIKeyFYBCPXBAQQWWCY-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.96
Rot. Bonds1

About 2-cyclobut-2-en-1-yloxirane

2-cyclobut-2-en-1-yloxirane (PubChem CID 150243675) has the molecular formula C6H8O and a molecular weight of 96.13 g/mol. Its IUPAC name is 2-cyclobut-2-en-1-yloxirane.

Molecular Properties

Compound Name2-cyclobut-2-en-1-yloxirane
PubChem CID150243675
Molecular FormulaC6H8O
Molecular Weight96.13 g/mol
Exact Mass96.06
IUPAC Name2-cyclobut-2-en-1-yloxirane
SMILESC1=CC(C2CO2)C1
InChIInChI=1S/C6H8O/c1-2-5(3-1)6-4-7-6/h1-2,5-6H,3-4H2
InChIKeyFYBCPXBAQQWWCY-UHFFFAOYSA-N
XLogP0.96
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobut-2-en-1-yloxirane?
The IUPAC name of 2-cyclobut-2-en-1-yloxirane (CID 150243675) is 2-cyclobut-2-en-1-yloxirane.
What is the SMILES notation for 2-cyclobut-2-en-1-yloxirane?
The canonical SMILES for 2-cyclobut-2-en-1-yloxirane is C1=CC(C2CO2)C1.
What is the InChIKey of 2-cyclobut-2-en-1-yloxirane?
The InChIKey is FYBCPXBAQQWWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O/c1-2-5(3-1)6-4-7-6/h1-2,5-6H,3-4H2.
What are the key properties of 2-cyclobut-2-en-1-yloxirane?
2-cyclobut-2-en-1-yloxirane has a molecular weight of 96.13 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobut-2-en-1-yloxirane is sourced from PubChem (CID 150243675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).