2-(cyclohexen-1-yl)oxirane

C8H12O — CID 10931430

IUPAC2-(cyclohexen-1-yl)oxirane
SMILESC1=C(C2CO2)CCCC1
InChIInChI=1S/C8H12O/c1-2-4-7(5-3-1)8-6-9-8/h4,8H,1-3,5-6H2
InChIKeyUYRRVUMEQHGMSD-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.89
Rot. Bonds1

About 2-(cyclohexen-1-yl)oxirane

2-(cyclohexen-1-yl)oxirane (PubChem CID 10931430) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)oxirane.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)oxirane
PubChem CID10931430
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name2-(cyclohexen-1-yl)oxirane
SMILESC1=C(C2CO2)CCCC1
InChIInChI=1S/C8H12O/c1-2-4-7(5-3-1)8-6-9-8/h4,8H,1-3,5-6H2
InChIKeyUYRRVUMEQHGMSD-UHFFFAOYSA-N
XLogP1.89
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.89
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-(cyclohexen-1-yl)oxirane?
The IUPAC name of 2-(cyclohexen-1-yl)oxirane (CID 10931430) is 2-(cyclohexen-1-yl)oxirane.
What is the SMILES notation for 2-(cyclohexen-1-yl)oxirane?
The canonical SMILES for 2-(cyclohexen-1-yl)oxirane is C1=C(C2CO2)CCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)oxirane?
The InChIKey is UYRRVUMEQHGMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-2-4-7(5-3-1)8-6-9-8/h4,8H,1-3,5-6H2.
What are the key properties of 2-(cyclohexen-1-yl)oxirane?
2-(cyclohexen-1-yl)oxirane has a molecular weight of 124.18 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)oxirane is sourced from PubChem (CID 10931430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).