2-(1-ethenoxybut-3-enyl)oxirane

C8H12O2 — CID 140556718

IUPAC2-(1-ethenoxybut-3-enyl)oxirane
SMILESC=CCC(OC=C)C1CO1
InChIInChI=1S/C8H12O2/c1-3-5-7(9-4-2)8-6-10-8/h3-4,7-8H,1-2,5-6H2
InChIKeyPBWKAAFNZQUBLU-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.49
Rot. Bonds5

About 2-(1-ethenoxybut-3-enyl)oxirane

2-(1-ethenoxybut-3-enyl)oxirane (PubChem CID 140556718) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-(1-ethenoxybut-3-enyl)oxirane.

Molecular Properties

Compound Name2-(1-ethenoxybut-3-enyl)oxirane
PubChem CID140556718
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2-(1-ethenoxybut-3-enyl)oxirane
SMILESC=CCC(OC=C)C1CO1
InChIInChI=1S/C8H12O2/c1-3-5-7(9-4-2)8-6-10-8/h3-4,7-8H,1-2,5-6H2
InChIKeyPBWKAAFNZQUBLU-UHFFFAOYSA-N
XLogP1.49
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1-ethenoxybut-3-enyl)oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethenoxybut-3-enyl)oxirane?
The IUPAC name of 2-(1-ethenoxybut-3-enyl)oxirane (CID 140556718) is 2-(1-ethenoxybut-3-enyl)oxirane.
What is the SMILES notation for 2-(1-ethenoxybut-3-enyl)oxirane?
The canonical SMILES for 2-(1-ethenoxybut-3-enyl)oxirane is C=CCC(OC=C)C1CO1.
What is the InChIKey of 2-(1-ethenoxybut-3-enyl)oxirane?
The InChIKey is PBWKAAFNZQUBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-3-5-7(9-4-2)8-6-10-8/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 2-(1-ethenoxybut-3-enyl)oxirane?
2-(1-ethenoxybut-3-enyl)oxirane has a molecular weight of 140.18 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethenoxybut-3-enyl)oxirane is sourced from PubChem (CID 140556718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).