2-[(E)-pent-2-en-2-yl]oxirane

C7H12O — CID 135014051

IUPAC2-[(E)-pent-2-en-2-yl]oxirane
SMILESCC/C=C(\C)C1CO1
InChIInChI=1S/C7H12O/c1-3-4-6(2)7-5-8-7/h4,7H,3,5H2,1-2H3/b6-4+
InChIKeyFDIMLBZUBXNJPX-GQCTYLIASA-N
MW112.17 g/mol
LogP1.74
Rot. Bonds2

About 2-[(E)-pent-2-en-2-yl]oxirane

2-[(E)-pent-2-en-2-yl]oxirane (PubChem CID 135014051) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 2-[(E)-pent-2-en-2-yl]oxirane.

Molecular Properties

Compound Name2-[(E)-pent-2-en-2-yl]oxirane
PubChem CID135014051
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name2-[(E)-pent-2-en-2-yl]oxirane
SMILESCC/C=C(\C)C1CO1
InChIInChI=1S/C7H12O/c1-3-4-6(2)7-5-8-7/h4,7H,3,5H2,1-2H3/b6-4+
InChIKeyFDIMLBZUBXNJPX-GQCTYLIASA-N
XLogP1.74
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.74
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-[(E)-pent-2-en-2-yl]oxirane?
The IUPAC name of 2-[(E)-pent-2-en-2-yl]oxirane (CID 135014051) is 2-[(E)-pent-2-en-2-yl]oxirane.
What is the SMILES notation for 2-[(E)-pent-2-en-2-yl]oxirane?
The canonical SMILES for 2-[(E)-pent-2-en-2-yl]oxirane is CC/C=C(\C)C1CO1.
What is the InChIKey of 2-[(E)-pent-2-en-2-yl]oxirane?
The InChIKey is FDIMLBZUBXNJPX-GQCTYLIASA-N. The full InChI is InChI=1S/C7H12O/c1-3-4-6(2)7-5-8-7/h4,7H,3,5H2,1-2H3/b6-4+.
What are the key properties of 2-[(E)-pent-2-en-2-yl]oxirane?
2-[(E)-pent-2-en-2-yl]oxirane has a molecular weight of 112.17 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-pent-2-en-2-yl]oxirane is sourced from PubChem (CID 135014051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).