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

C9H16O3 — CID 176603486

IUPAC2-(2-methylprop-1-enoxymethyl)-1,4-dioxane
SMILESCC(C)=COCC1COCCO1
InChIInChI=1S/C9H16O3/c1-8(2)5-11-7-9-6-10-3-4-12-9/h5,9H,3-4,6-7H2,1-2H3
InChIKeyZSNIQANAPXOXTG-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.34
Rot. Bonds3

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

2-(2-methylprop-1-enoxymethyl)-1,4-dioxane (PubChem CID 176603486) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-(2-methylprop-1-enoxymethyl)-1,4-dioxane.

Molecular Properties

Compound Name2-(2-methylprop-1-enoxymethyl)-1,4-dioxane
PubChem CID176603486
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2-(2-methylprop-1-enoxymethyl)-1,4-dioxane
SMILESCC(C)=COCC1COCCO1
InChIInChI=1S/C9H16O3/c1-8(2)5-11-7-9-6-10-3-4-12-9/h5,9H,3-4,6-7H2,1-2H3
InChIKeyZSNIQANAPXOXTG-UHFFFAOYSA-N
XLogP1.34
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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

6-Methyl-2-[2-(vinyloxy)ethoxymethyl]-2,3-dihydro-1,4-dioxine
CID 129742258
1-(2-Ethoxyethoxy)-2-methylprop-1-ene
CID 22234802
1,2,3-Tris(prop-1-en-2-yloxy)propane
CID 59348391
2-Methyl-1-[2-[2-(2-methylprop-1-enoxy)ethoxy]ethoxy]prop-1-ene
CID 87658454
2-Methyl-1-[2-(2-methylprop-1-enoxy)propoxy]prop-1-ene
CID 87658950
1-[2,3-Bis(2-methylprop-1-enoxy)propoxy]-2-methylprop-1-ene
CID 87659581
1,2,4,6-Tetramethyl-2,3-dihydro-1,4-dioxine-1,4-diium
CID 123552627
1-[2-(2-Ethoxyethoxy)ethoxy]-2-methylprop-1-ene
CID 141066338
2,2-Dimethyl-1,4-dioxane;2-methylprop-1-ene
CID 153528208
1-[2-(2-Methoxyethoxy)ethoxy]-2-methylprop-1-ene
CID 164804453
1,4-Dioxane;2-methylprop-1-ene
CID 174979967
2-Ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dioxane
CID 176602940

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-1-enoxymethyl)-1,4-dioxane?
The IUPAC name of 2-(2-methylprop-1-enoxymethyl)-1,4-dioxane (CID 176603486) is 2-(2-methylprop-1-enoxymethyl)-1,4-dioxane.
What is the SMILES notation for 2-(2-methylprop-1-enoxymethyl)-1,4-dioxane?
The canonical SMILES for 2-(2-methylprop-1-enoxymethyl)-1,4-dioxane is CC(C)=COCC1COCCO1.
What is the InChIKey of 2-(2-methylprop-1-enoxymethyl)-1,4-dioxane?
The InChIKey is ZSNIQANAPXOXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-8(2)5-11-7-9-6-10-3-4-12-9/h5,9H,3-4,6-7H2,1-2H3.
What are the key properties of 2-(2-methylprop-1-enoxymethyl)-1,4-dioxane?
2-(2-methylprop-1-enoxymethyl)-1,4-dioxane has a molecular weight of 172.22 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-1-enoxymethyl)-1,4-dioxane is sourced from PubChem (CID 176603486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).