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

C6H10O — CID 10887839

IUPAC2-[(E)-but-2-en-2-yl]oxirane
SMILESC/C=C(\C)C1CO1
InChIInChI=1S/C6H10O/c1-3-5(2)6-4-7-6/h3,6H,4H2,1-2H3/b5-3+
InChIKeyUQFYEWPAHZCJCW-HWKANZROSA-N
MW98.14 g/mol
LogP1.35
Rot. Bonds1

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

2-[(E)-but-2-en-2-yl]oxirane (PubChem CID 10887839) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is 2-[(E)-but-2-en-2-yl]oxirane.

Molecular Properties

Compound Name2-[(E)-but-2-en-2-yl]oxirane
PubChem CID10887839
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name2-[(E)-but-2-en-2-yl]oxirane
SMILESC/C=C(\C)C1CO1
InChIInChI=1S/C6H10O/c1-3-5(2)6-4-7-6/h3,6H,4H2,1-2H3/b5-3+
InChIKeyUQFYEWPAHZCJCW-HWKANZROSA-N
XLogP1.35
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 51.35
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)-but-2-en-2-yl]oxirane?
The IUPAC name of 2-[(E)-but-2-en-2-yl]oxirane (CID 10887839) is 2-[(E)-but-2-en-2-yl]oxirane.
What is the SMILES notation for 2-[(E)-but-2-en-2-yl]oxirane?
The canonical SMILES for 2-[(E)-but-2-en-2-yl]oxirane is C/C=C(\C)C1CO1.
What is the InChIKey of 2-[(E)-but-2-en-2-yl]oxirane?
The InChIKey is UQFYEWPAHZCJCW-HWKANZROSA-N. The full InChI is InChI=1S/C6H10O/c1-3-5(2)6-4-7-6/h3,6H,4H2,1-2H3/b5-3+.
What are the key properties of 2-[(E)-but-2-en-2-yl]oxirane?
2-[(E)-but-2-en-2-yl]oxirane has a molecular weight of 98.14 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-en-2-yl]oxirane is sourced from PubChem (CID 10887839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).