2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]-1,4-dioxane

C13H24O3 — CID 176605128

IUPAC2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]-1,4-dioxane
SMILESCCC1(CCCOC=C(C)C)COCCO1
InChIInChI=1S/C13H24O3/c1-4-13(11-15-8-9-16-13)6-5-7-14-10-12(2)3/h10H,4-9,11H2,1-3H3
InChIKeyJFPXGWUBJYNWKM-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.90
Rot. Bonds6

About 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]-1,4-dioxane

2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]-1,4-dioxane (PubChem CID 176605128) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]-1,4-dioxane.

Molecular Properties

Compound Name2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]-1,4-dioxane
PubChem CID176605128
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]-1,4-dioxane
SMILESCCC1(CCCOC=C(C)C)COCCO1
InChIInChI=1S/C13H24O3/c1-4-13(11-15-8-9-16-13)6-5-7-14-10-12(2)3/h10H,4-9,11H2,1-3H3
InChIKeyJFPXGWUBJYNWKM-UHFFFAOYSA-N
XLogP2.90
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-2-(3-prop-1-enoxypropyl)-1,4-dioxane
CID 150894005
2-[3-(Cyclopentylidenemethoxy)propyl]-2-ethyl-1,4-dioxane
CID 176603886
2-Ethyl-2-(2-methylprop-1-enoxymethyl)oxolane
CID 176604121
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]-1,4-dioxane
CID 176604387
2-[3-(Cyclohexylidenemethoxy)propyl]-2-ethyl-1,4-dioxane
CID 176604590
2-Ethyl-2-(2-methylprop-1-enoxymethyl)oxane
CID 176604881
2-Methyl-2-(2-methylprop-1-enoxymethyl)oxane
CID 176604888
2-(3-Ethenoxypropyl)-2-ethyl-1,4-dioxane
CID 176605139

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]-1,4-dioxane?
The IUPAC name of 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]-1,4-dioxane (CID 176605128) is 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]-1,4-dioxane.
What is the SMILES notation for 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]-1,4-dioxane?
The canonical SMILES for 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]-1,4-dioxane is CCC1(CCCOC=C(C)C)COCCO1.
What is the InChIKey of 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]-1,4-dioxane?
The InChIKey is JFPXGWUBJYNWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-4-13(11-15-8-9-16-13)6-5-7-14-10-12(2)3/h10H,4-9,11H2,1-3H3.
What are the key properties of 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]-1,4-dioxane?
2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]-1,4-dioxane has a molecular weight of 228.33 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]-1,4-dioxane is sourced from PubChem (CID 176605128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).