5-ethenyl-2-ethylidene-1,3-dioxane

C8H12O2 — CID 69005889

IUPAC5-ethenyl-2-ethylidene-1,3-dioxane
SMILESC=CC1COC(=CC)OC1
InChIInChI=1S/C8H12O2/c1-3-7-5-9-8(4-2)10-6-7/h3-4,7H,1,5-6H2,2H3/b8-4-
InChIKeyHRSOKUHDYBSLQG-YWEYNIOJSA-N
MW140.18 g/mol
LogP1.70
Rot. Bonds1

About 5-ethenyl-2-ethylidene-1,3-dioxane

5-ethenyl-2-ethylidene-1,3-dioxane (PubChem CID 69005889) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 5-ethenyl-2-ethylidene-1,3-dioxane.

Molecular Properties

Compound Name5-ethenyl-2-ethylidene-1,3-dioxane
PubChem CID69005889
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name5-ethenyl-2-ethylidene-1,3-dioxane
SMILESC=CC1COC(=CC)OC1
InChIInChI=1S/C8H12O2/c1-3-7-5-9-8(4-2)10-6-7/h3-4,7H,1,5-6H2,2H3/b8-4-
InChIKeyHRSOKUHDYBSLQG-YWEYNIOJSA-N
XLogP1.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.70
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 5-ethenyl-2-ethylidene-1,3-dioxane?
The IUPAC name of 5-ethenyl-2-ethylidene-1,3-dioxane (CID 69005889) is 5-ethenyl-2-ethylidene-1,3-dioxane.
What is the SMILES notation for 5-ethenyl-2-ethylidene-1,3-dioxane?
The canonical SMILES for 5-ethenyl-2-ethylidene-1,3-dioxane is C=CC1COC(=CC)OC1.
What is the InChIKey of 5-ethenyl-2-ethylidene-1,3-dioxane?
The InChIKey is HRSOKUHDYBSLQG-YWEYNIOJSA-N. The full InChI is InChI=1S/C8H12O2/c1-3-7-5-9-8(4-2)10-6-7/h3-4,7H,1,5-6H2,2H3/b8-4-.
What are the key properties of 5-ethenyl-2-ethylidene-1,3-dioxane?
5-ethenyl-2-ethylidene-1,3-dioxane has a molecular weight of 140.18 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-ethylidene-1,3-dioxane is sourced from PubChem (CID 69005889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).