4-ethenoxybut-1-ene

C6H10O — CID 12820525

IUPAC4-ethenoxybut-1-ene
SMILESC=CCCOC=C
InChIInChI=1S/C6H10O/c1-3-5-6-7-4-2/h3-4H,1-2,5-6H2
InChIKeyCEGOHIRBPWQSQD-UHFFFAOYSA-N
MW98.14 g/mol
LogP1.72
Rot. Bonds4

About 4-ethenoxybut-1-ene

4-ethenoxybut-1-ene (PubChem CID 12820525) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is 4-ethenoxybut-1-ene.

Molecular Properties

Compound Name4-ethenoxybut-1-ene
PubChem CID12820525
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name4-ethenoxybut-1-ene
SMILESC=CCCOC=C
InChIInChI=1S/C6H10O/c1-3-5-6-7-4-2/h3-4H,1-2,5-6H2
InChIKeyCEGOHIRBPWQSQD-UHFFFAOYSA-N
XLogP1.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 51.72
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethenoxybut-1-ene?
The IUPAC name of 4-ethenoxybut-1-ene (CID 12820525) is 4-ethenoxybut-1-ene.
What is the SMILES notation for 4-ethenoxybut-1-ene?
The canonical SMILES for 4-ethenoxybut-1-ene is C=CCCOC=C.
What is the InChIKey of 4-ethenoxybut-1-ene?
The InChIKey is CEGOHIRBPWQSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-3-5-6-7-4-2/h3-4H,1-2,5-6H2.
What are the key properties of 4-ethenoxybut-1-ene?
4-ethenoxybut-1-ene has a molecular weight of 98.14 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenoxybut-1-ene is sourced from PubChem (CID 12820525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).