2-ethyl-2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane

C10H18O3 — CID 176604787

IUPAC2-ethyl-2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane
SMILESC/C=C/OCC1(CC)COCCO1
InChIInChI=1S/C10H18O3/c1-3-5-11-8-10(4-2)9-12-6-7-13-10/h3,5H,4,6-9H2,1-2H3/b5-3+
InChIKeyWHGLGHSLTWIVBH-HWKANZROSA-N
MW186.25 g/mol
LogP1.73
Rot. Bonds4

About 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane

2-ethyl-2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane (PubChem CID 176604787) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane.

Molecular Properties

Compound Name2-ethyl-2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane
PubChem CID176604787
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-ethyl-2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane
SMILESC/C=C/OCC1(CC)COCCO1
InChIInChI=1S/C10H18O3/c1-3-5-11-8-10(4-2)9-12-6-7-13-10/h3,5H,4,6-9H2,1-2H3/b5-3+
InChIKeyWHGLGHSLTWIVBH-HWKANZROSA-N
XLogP1.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.73
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-Dimethyl-3-(prop-1-enoxymethyl)oxirane
CID 54050941
2-Methyl-2-(2-prop-1-enoxyethoxy)propane
CID 139983712
2,3-Dimethyl-2-(prop-1-enoxymethyl)oxirane
CID 140365265
1-Methyl-1-(2-prop-1-enoxyethoxy)cyclobutane
CID 150318855
2-Ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dioxane
CID 176602940
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]-1,4-dioxane
CID 176603575
2-(Ethenoxymethyl)-2-ethyl-1,4-dioxane
CID 176603953
2-methyl-2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane
CID 176604203
2-Methyl-2-(2-methylprop-1-enoxymethyl)-1,4-dioxane
CID 176604278
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dioxane
CID 176604558
2-[1-[(E)-prop-1-enoxy]ethyl]-1,4-dioxane
CID 176604951
2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dioxane
CID 176605039

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane?
The IUPAC name of 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane (CID 176604787) is 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane.
What is the SMILES notation for 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane?
The canonical SMILES for 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane is C/C=C/OCC1(CC)COCCO1.
What is the InChIKey of 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane?
The InChIKey is WHGLGHSLTWIVBH-HWKANZROSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-5-11-8-10(4-2)9-12-6-7-13-10/h3,5H,4,6-9H2,1-2H3/b5-3+.
What are the key properties of 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane?
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane has a molecular weight of 186.25 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane is sourced from PubChem (CID 176604787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).