2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dioxane

C11H20O3 — CID 176602940

IUPAC2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dioxane
SMILESCCC1(COC=C(C)C)COCCO1
InChIInChI=1S/C11H20O3/c1-4-11(8-12-5-6-14-11)9-13-7-10(2)3/h7H,4-6,8-9H2,1-3H3
InChIKeyPJCNECJTHGYLBE-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.12
Rot. Bonds4

About 2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dioxane

2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dioxane (PubChem CID 176602940) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dioxane.

Molecular Properties

Compound Name2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dioxane
PubChem CID176602940
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dioxane
SMILESCCC1(COC=C(C)C)COCCO1
InChIInChI=1S/C11H20O3/c1-4-11(8-12-5-6-14-11)9-13-7-10(2)3/h7H,4-6,8-9H2,1-3H3
InChIKeyPJCNECJTHGYLBE-UHFFFAOYSA-N
XLogP2.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.12
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

2,2,3,3,5-Pentamethyl-1,4-dioxine
CID 12591607
2,2-Dimethyl-1,4-dioxane;2-methylprop-1-ene
CID 153528208
2-(2-Methylprop-1-enoxymethyl)-1,4-dioxane
CID 176603486
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]-1,4-dioxane
CID 176603575
2-Ethyl-2-(2-methylprop-1-enoxymethyl)oxirane
CID 176603818
2-(Ethenoxymethyl)-2-ethyl-1,4-dioxane
CID 176603953
2-methyl-2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane
CID 176604203
2-(Cyclopentylidenemethoxymethyl)-2-ethyl-1,4-dioxane
CID 176604242
2-Methyl-2-(2-methylprop-1-enoxymethyl)-1,4-dioxane
CID 176604278
2-[2-(2-Methylprop-1-enoxy)ethyl]-1,4-dioxane
CID 176604346
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dioxane
CID 176604558
2-[1-(2-Methylprop-1-enoxy)ethyl]-1,4-dioxane
CID 176604601

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dioxane?
The IUPAC name of 2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dioxane (CID 176602940) is 2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dioxane.
What is the SMILES notation for 2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dioxane?
The canonical SMILES for 2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dioxane is CCC1(COC=C(C)C)COCCO1.
What is the InChIKey of 2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dioxane?
The InChIKey is PJCNECJTHGYLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-4-11(8-12-5-6-14-11)9-13-7-10(2)3/h7H,4-6,8-9H2,1-3H3.
What are the key properties of 2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dioxane?
2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dioxane has a molecular weight of 200.28 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dioxane is sourced from PubChem (CID 176602940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).