2-(1-ethenoxyethyl)-1,4-dioxane

C8H14O3 — CID 176604083

IUPAC2-(1-ethenoxyethyl)-1,4-dioxane
SMILESC=COC(C)C1COCCO1
InChIInChI=1S/C8H14O3/c1-3-10-7(2)8-6-9-4-5-11-8/h3,7-8H,1,4-6H2,2H3
InChIKeyWPOIXNPHQWUHNM-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.95
Rot. Bonds3

About 2-(1-ethenoxyethyl)-1,4-dioxane

2-(1-ethenoxyethyl)-1,4-dioxane (PubChem CID 176604083) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(1-ethenoxyethyl)-1,4-dioxane.

Molecular Properties

Compound Name2-(1-ethenoxyethyl)-1,4-dioxane
PubChem CID176604083
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-(1-ethenoxyethyl)-1,4-dioxane
SMILESC=COC(C)C1COCCO1
InChIInChI=1S/C8H14O3/c1-3-10-7(2)8-6-9-4-5-11-8/h3,7-8H,1,4-6H2,2H3
InChIKeyWPOIXNPHQWUHNM-UHFFFAOYSA-N
XLogP0.95
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1-ethenoxyethyl)-1,4-dioxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-Bis(ethenoxy)butane
CID 87487432
1-Ethenoxy-2-ethoxybutane
CID 140053460
1-Ethenoxy-2-propoxybutane
CID 140053461
1-Ethenoxy-2-propan-2-yloxybutane
CID 140053463
2-Butoxy-1-ethenoxybutane
CID 140053464
2-Ethenoxy-1-ethoxybutane
CID 140211607
1-(2-Ethenoxypropoxy)butane
CID 140570921
Ethene;2-(methoxymethyl)-1,4-dioxane
CID 144470114
1-Ethenoxy-2,3-diethoxypropane
CID 151268841
1-Ethenoxy-2-(3-propoxypropoxy)propane
CID 154211630
1,2,3-Tris(ethenoxy)butane
CID 156776745
2-(Ethenoxymethyl)-1,4-dioxane
CID 159329210

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethenoxyethyl)-1,4-dioxane?
The IUPAC name of 2-(1-ethenoxyethyl)-1,4-dioxane (CID 176604083) is 2-(1-ethenoxyethyl)-1,4-dioxane.
What is the SMILES notation for 2-(1-ethenoxyethyl)-1,4-dioxane?
The canonical SMILES for 2-(1-ethenoxyethyl)-1,4-dioxane is C=COC(C)C1COCCO1.
What is the InChIKey of 2-(1-ethenoxyethyl)-1,4-dioxane?
The InChIKey is WPOIXNPHQWUHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-10-7(2)8-6-9-4-5-11-8/h3,7-8H,1,4-6H2,2H3.
What are the key properties of 2-(1-ethenoxyethyl)-1,4-dioxane?
2-(1-ethenoxyethyl)-1,4-dioxane has a molecular weight of 158.20 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethenoxyethyl)-1,4-dioxane is sourced from PubChem (CID 176604083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).