2-cyclohexa-2,5-dien-1-yloxirane

C8H10O — CID 126490410

IUPAC2-cyclohexa-2,5-dien-1-yloxirane
SMILESC1=CC(C2CO2)C=CC1
InChIInChI=1S/C8H10O/c1-2-4-7(5-3-1)8-6-9-8/h2-5,7-8H,1,6H2
InChIKeyJIPQRYCHJGYYBL-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.52
Rot. Bonds1

About 2-cyclohexa-2,5-dien-1-yloxirane

2-cyclohexa-2,5-dien-1-yloxirane (PubChem CID 126490410) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is 2-cyclohexa-2,5-dien-1-yloxirane.

Molecular Properties

Compound Name2-cyclohexa-2,5-dien-1-yloxirane
PubChem CID126490410
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name2-cyclohexa-2,5-dien-1-yloxirane
SMILESC1=CC(C2CO2)C=CC1
InChIInChI=1S/C8H10O/c1-2-4-7(5-3-1)8-6-9-8/h2-5,7-8H,1,6H2
InChIKeyJIPQRYCHJGYYBL-UHFFFAOYSA-N
XLogP1.52
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.52
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-cyclohexa-2,5-dien-1-yloxirane?
The IUPAC name of 2-cyclohexa-2,5-dien-1-yloxirane (CID 126490410) is 2-cyclohexa-2,5-dien-1-yloxirane.
What is the SMILES notation for 2-cyclohexa-2,5-dien-1-yloxirane?
The canonical SMILES for 2-cyclohexa-2,5-dien-1-yloxirane is C1=CC(C2CO2)C=CC1.
What is the InChIKey of 2-cyclohexa-2,5-dien-1-yloxirane?
The InChIKey is JIPQRYCHJGYYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c1-2-4-7(5-3-1)8-6-9-8/h2-5,7-8H,1,6H2.
What are the key properties of 2-cyclohexa-2,5-dien-1-yloxirane?
2-cyclohexa-2,5-dien-1-yloxirane has a molecular weight of 122.17 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-2,5-dien-1-yloxirane is sourced from PubChem (CID 126490410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).