2-(ethenoxymethyl)penta-1,4-diene

C8H12O — CID 174772433

IUPAC2-(ethenoxymethyl)penta-1,4-diene
SMILESC=CCC(=C)COC=C
InChIInChI=1S/C8H12O/c1-4-6-8(3)7-9-5-2/h4-5H,1-3,6-7H2
InChIKeyXOQDOOYQJGYNLF-UHFFFAOYSA-N
MW124.18 g/mol
LogP2.28
Rot. Bonds5

About 2-(ethenoxymethyl)penta-1,4-diene

2-(ethenoxymethyl)penta-1,4-diene (PubChem CID 174772433) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 2-(ethenoxymethyl)penta-1,4-diene.

Molecular Properties

Compound Name2-(ethenoxymethyl)penta-1,4-diene
PubChem CID174772433
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name2-(ethenoxymethyl)penta-1,4-diene
SMILESC=CCC(=C)COC=C
InChIInChI=1S/C8H12O/c1-4-6-8(3)7-9-5-2/h4-5H,1-3,6-7H2
InChIKeyXOQDOOYQJGYNLF-UHFFFAOYSA-N
XLogP2.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(ethenoxymethyl)penta-1,4-diene?
The IUPAC name of 2-(ethenoxymethyl)penta-1,4-diene (CID 174772433) is 2-(ethenoxymethyl)penta-1,4-diene.
What is the SMILES notation for 2-(ethenoxymethyl)penta-1,4-diene?
The canonical SMILES for 2-(ethenoxymethyl)penta-1,4-diene is C=CCC(=C)COC=C.
What is the InChIKey of 2-(ethenoxymethyl)penta-1,4-diene?
The InChIKey is XOQDOOYQJGYNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-4-6-8(3)7-9-5-2/h4-5H,1-3,6-7H2.
What are the key properties of 2-(ethenoxymethyl)penta-1,4-diene?
2-(ethenoxymethyl)penta-1,4-diene has a molecular weight of 124.18 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenoxymethyl)penta-1,4-diene is sourced from PubChem (CID 174772433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).