2-methylidene-6-(prop-2-enoxymethyl)-1,4-dioxane

C9H14O3 — CID 90478005

IUPAC2-methylidene-6-(prop-2-enoxymethyl)-1,4-dioxane
SMILESC=CCOCC1COCC(=C)O1
InChIInChI=1S/C9H14O3/c1-3-4-10-6-9-7-11-5-8(2)12-9/h3,9H,1-2,4-7H2
InChIKeyHJIDFUKBTRGHFI-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.12
Rot. Bonds4

About 2-methylidene-6-(prop-2-enoxymethyl)-1,4-dioxane

2-methylidene-6-(prop-2-enoxymethyl)-1,4-dioxane (PubChem CID 90478005) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-methylidene-6-(prop-2-enoxymethyl)-1,4-dioxane.

Molecular Properties

Compound Name2-methylidene-6-(prop-2-enoxymethyl)-1,4-dioxane
PubChem CID90478005
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name2-methylidene-6-(prop-2-enoxymethyl)-1,4-dioxane
SMILESC=CCOCC1COCC(=C)O1
InChIInChI=1S/C9H14O3/c1-3-4-10-6-9-7-11-5-8(2)12-9/h3,9H,1-2,4-7H2
InChIKeyHJIDFUKBTRGHFI-UHFFFAOYSA-N
XLogP1.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-methylidene-6-(prop-2-enoxymethyl)-1,4-dioxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3',3''-(1,2,3-Propanetriyltris(oxy))trispropene
CID 75719
p-Dioxane, methylene-
CID 253762
2-({2-[(Prop-2-en-1-yl)oxy]ethoxy}methyl)oxirane
CID 13263129
2,5-Divinyl-1,4-dioxane
CID 543103
2-[(2-Propen-1-yloxy)methyl]-1,4,7,10,13-pentaoxacyclopentadecane
CID 12421332
2-[(2-Propen-1-yloxy)methyl]-1,4,7,10-tetraoxacyclododecane
CID 13123214
2,5-Dimethylidene-1,4-dioxane
CID 243602
2,3-Bis(prop-2-enoxy)buta-1,3-diene
CID 85812569
2-(Allyloxymethyl)-2,3-dihydro-5h-1,4-dioxepine
CID 129741917
6-Methylene-2-[2-(vinyloxy)ethoxymethyl]-1,4-dioxane
CID 129741931
2-Allyloxymethyl-6-methyl-2,3-dihydro-1,4-di-oxine
CID 129742110
Allyloxymethyl-1,4-dioxine
CID 129742517

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-6-(prop-2-enoxymethyl)-1,4-dioxane?
The IUPAC name of 2-methylidene-6-(prop-2-enoxymethyl)-1,4-dioxane (CID 90478005) is 2-methylidene-6-(prop-2-enoxymethyl)-1,4-dioxane.
What is the SMILES notation for 2-methylidene-6-(prop-2-enoxymethyl)-1,4-dioxane?
The canonical SMILES for 2-methylidene-6-(prop-2-enoxymethyl)-1,4-dioxane is C=CCOCC1COCC(=C)O1.
What is the InChIKey of 2-methylidene-6-(prop-2-enoxymethyl)-1,4-dioxane?
The InChIKey is HJIDFUKBTRGHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-3-4-10-6-9-7-11-5-8(2)12-9/h3,9H,1-2,4-7H2.
What are the key properties of 2-methylidene-6-(prop-2-enoxymethyl)-1,4-dioxane?
2-methylidene-6-(prop-2-enoxymethyl)-1,4-dioxane has a molecular weight of 170.21 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-6-(prop-2-enoxymethyl)-1,4-dioxane is sourced from PubChem (CID 90478005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).