2-(ethenoxymethyl)-2-ethyl-1,4-dioxane

C9H16O3 — CID 176603953

IUPAC2-(ethenoxymethyl)-2-ethyl-1,4-dioxane
SMILESC=COCC1(CC)COCCO1
InChIInChI=1S/C9H16O3/c1-3-9(7-10-4-2)8-11-5-6-12-9/h4H,2-3,5-8H2,1H3
InChIKeyXMKFELPJPXUOQE-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.34
Rot. Bonds4

About 2-(ethenoxymethyl)-2-ethyl-1,4-dioxane

2-(ethenoxymethyl)-2-ethyl-1,4-dioxane (PubChem CID 176603953) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-(ethenoxymethyl)-2-ethyl-1,4-dioxane.

Molecular Properties

Compound Name2-(ethenoxymethyl)-2-ethyl-1,4-dioxane
PubChem CID176603953
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2-(ethenoxymethyl)-2-ethyl-1,4-dioxane
SMILESC=COCC1(CC)COCCO1
InChIInChI=1S/C9H16O3/c1-3-9(7-10-4-2)8-11-5-6-12-9/h4H,2-3,5-8H2,1H3
InChIKeyXMKFELPJPXUOQE-UHFFFAOYSA-N
XLogP1.34
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-Ethenoxy-2-[(2-methylpropan-2-yl)oxy]propoxy]-2-methylpropane
CID 88894252
3-Ethenoxy-3-methyl-1-[(2-methylpropan-2-yl)oxy]butane
CID 123667741
1-Ethenoxy-3-(3-ethenoxy-3-methylbutoxy)-3-methylbutane
CID 129150735
2-(2-Propan-2-yloxypropan-2-yl)-1,4-dioxane
CID 139637246
1-Ethenoxy-3-(2-ethenoxypropoxy)-3-methylbutane
CID 155312790
2-(2-Ethenoxyethoxy)-2-methylbutane
CID 164755038
2,2-Dimethyl-1,4-dioxane;ethene
CID 174732671
2-Ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dioxane
CID 176602940
2-(1-Ethenoxyethyl)-1,4-dioxane
CID 176604083
2-(Ethenoxymethyl)-2-methyl-1,4-dioxane
CID 176604466
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dioxane
CID 176604558
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane
CID 176604787

Frequently Asked Questions

What is the IUPAC name of 2-(ethenoxymethyl)-2-ethyl-1,4-dioxane?
The IUPAC name of 2-(ethenoxymethyl)-2-ethyl-1,4-dioxane (CID 176603953) is 2-(ethenoxymethyl)-2-ethyl-1,4-dioxane.
What is the SMILES notation for 2-(ethenoxymethyl)-2-ethyl-1,4-dioxane?
The canonical SMILES for 2-(ethenoxymethyl)-2-ethyl-1,4-dioxane is C=COCC1(CC)COCCO1.
What is the InChIKey of 2-(ethenoxymethyl)-2-ethyl-1,4-dioxane?
The InChIKey is XMKFELPJPXUOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-3-9(7-10-4-2)8-11-5-6-12-9/h4H,2-3,5-8H2,1H3.
What are the key properties of 2-(ethenoxymethyl)-2-ethyl-1,4-dioxane?
2-(ethenoxymethyl)-2-ethyl-1,4-dioxane has a molecular weight of 172.22 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenoxymethyl)-2-ethyl-1,4-dioxane is sourced from PubChem (CID 176603953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).