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

C8H14O3 — CID 176603110

IUPAC2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane
SMILESC/C=C/OCC1COCCO1
InChIInChI=1S/C8H14O3/c1-2-3-9-6-8-7-10-4-5-11-8/h2-3,8H,4-7H2,1H3/b3-2+
InChIKeyNWTILJJWBAJQMP-NSCUHMNNSA-N
MW158.20 g/mol
LogP0.95
Rot. Bonds3

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

2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane (PubChem CID 176603110) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane.

Molecular Properties

Compound Name2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane
PubChem CID176603110
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane
SMILESC/C=C/OCC1COCCO1
InChIInChI=1S/C8H14O3/c1-2-3-9-6-8-7-10-4-5-11-8/h2-3,8H,4-7H2,1H3/b3-2+
InChIKeyNWTILJJWBAJQMP-NSCUHMNNSA-N
XLogP0.95
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.95
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

1,2,3-Tris(1-propenoxy)propane
CID 53719872
2-Allyloxymethyl-6-methylene-1,4-dioxane
CID 90478005
6-Methyl-2-(1-propenyloxymethyl)-2,3-dihydro-1,4-dioxine
CID 129742042
2-Allyloxymethyl-6-methyl-2,3-dihydro-1,4-di-oxine
CID 129742110
6-Methyl-2-[2-(vinyloxy)ethoxymethyl]-2,3-dihydro-1,4-dioxine
CID 129742258
1,2,3-tris[(E)-prop-1-enoxy]propane
CID 22051876
2-[(E)-prop-1-enoxy]ethoxycyclopropane
CID 23556503
1,2-Bis(prop-1-enoxy)propane
CID 53967680
1-Prop-1-enoxy-2-(2-prop-1-enoxypropoxy)propane
CID 87865650
1-butoxy-2-[(Z)-prop-1-enoxy]butane
CID 88272789
4-Prop-1-enoxyoxane
CID 90717252
1,2,4,6-Tetramethyl-2,3-dihydro-1,4-dioxine-1,4-diium
CID 123552627

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane?
The IUPAC name of 2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane (CID 176603110) is 2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane.
What is the SMILES notation for 2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane?
The canonical SMILES for 2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane is C/C=C/OCC1COCCO1.
What is the InChIKey of 2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane?
The InChIKey is NWTILJJWBAJQMP-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H14O3/c1-2-3-9-6-8-7-10-4-5-11-8/h2-3,8H,4-7H2,1H3/b3-2+.
What are the key properties of 2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane?
2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane has a molecular weight of 158.20 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-prop-1-enoxy]methyl]-1,4-dioxane is sourced from PubChem (CID 176603110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).