2,5-bis(ethenyl)-1,4-dioxane

C8H12O2 — CID 543103

IUPAC2,5-bis(ethenyl)-1,4-dioxane
SMILESC=CC1COC(C=C)CO1
InChIInChI=1S/C8H12O2/c1-3-7-5-10-8(4-2)6-9-7/h3-4,7-8H,1-2,5-6H2
InChIKeyGSNWSBLZYUJQRD-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.14
Rot. Bonds2

About 2,5-bis(ethenyl)-1,4-dioxane

2,5-bis(ethenyl)-1,4-dioxane (PubChem CID 543103) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2,5-bis(ethenyl)-1,4-dioxane.

Molecular Properties

Compound Name2,5-bis(ethenyl)-1,4-dioxane
PubChem CID543103
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2,5-bis(ethenyl)-1,4-dioxane
SMILESC=CC1COC(C=C)CO1
InChIInChI=1S/C8H12O2/c1-3-7-5-10-8(4-2)6-9-7/h3-4,7-8H,1-2,5-6H2
InChIKeyGSNWSBLZYUJQRD-UHFFFAOYSA-N
XLogP1.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(ethenyl)-1,4-dioxane?
The IUPAC name of 2,5-bis(ethenyl)-1,4-dioxane (CID 543103) is 2,5-bis(ethenyl)-1,4-dioxane.
What is the SMILES notation for 2,5-bis(ethenyl)-1,4-dioxane?
The canonical SMILES for 2,5-bis(ethenyl)-1,4-dioxane is C=CC1COC(C=C)CO1.
What is the InChIKey of 2,5-bis(ethenyl)-1,4-dioxane?
The InChIKey is GSNWSBLZYUJQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-3-7-5-10-8(4-2)6-9-7/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 2,5-bis(ethenyl)-1,4-dioxane?
2,5-bis(ethenyl)-1,4-dioxane has a molecular weight of 140.18 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(ethenyl)-1,4-dioxane is sourced from PubChem (CID 543103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).