4-ethenoxybut-1-yne

C6H8O — CID 12755803

IUPAC4-ethenoxybut-1-yne
SMILESC#CCCOC=C
InChIInChI=1S/C6H8O/c1-3-5-6-7-4-2/h1,4H,2,5-6H2
InChIKeyQEGMJHZKEWKOEY-UHFFFAOYSA-N
MW96.13 g/mol
LogP1.17
Rot. Bonds3

About 4-ethenoxybut-1-yne

4-ethenoxybut-1-yne (PubChem CID 12755803) has the molecular formula C6H8O and a molecular weight of 96.13 g/mol. Its IUPAC name is 4-ethenoxybut-1-yne.

Molecular Properties

Compound Name4-ethenoxybut-1-yne
PubChem CID12755803
Molecular FormulaC6H8O
Molecular Weight96.13 g/mol
Exact Mass96.06
IUPAC Name4-ethenoxybut-1-yne
SMILESC#CCCOC=C
InChIInChI=1S/C6H8O/c1-3-5-6-7-4-2/h1,4H,2,5-6H2
InChIKeyQEGMJHZKEWKOEY-UHFFFAOYSA-N
XLogP1.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethenoxybut-1-yne?
The IUPAC name of 4-ethenoxybut-1-yne (CID 12755803) is 4-ethenoxybut-1-yne.
What is the SMILES notation for 4-ethenoxybut-1-yne?
The canonical SMILES for 4-ethenoxybut-1-yne is C#CCCOC=C.
What is the InChIKey of 4-ethenoxybut-1-yne?
The InChIKey is QEGMJHZKEWKOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O/c1-3-5-6-7-4-2/h1,4H,2,5-6H2.
What are the key properties of 4-ethenoxybut-1-yne?
4-ethenoxybut-1-yne has a molecular weight of 96.13 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenoxybut-1-yne is sourced from PubChem (CID 12755803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).