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

C8H14O3 — CID 10877389

IUPAC2-(prop-2-enoxymethyl)-1,4-dioxane
SMILESC=CCOCC1COCCO1
InChIInChI=1S/C8H14O3/c1-2-3-9-6-8-7-10-4-5-11-8/h2,8H,1,3-7H2
InChIKeyIUMBDZPSBCALFI-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.60
Rot. Bonds4

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

2-(prop-2-enoxymethyl)-1,4-dioxane (PubChem CID 10877389) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(prop-2-enoxymethyl)-1,4-dioxane.

Molecular Properties

Compound Name2-(prop-2-enoxymethyl)-1,4-dioxane
PubChem CID10877389
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-(prop-2-enoxymethyl)-1,4-dioxane
SMILESC=CCOCC1COCCO1
InChIInChI=1S/C8H14O3/c1-2-3-9-6-8-7-10-4-5-11-8/h2,8H,1,3-7H2
InChIKeyIUMBDZPSBCALFI-UHFFFAOYSA-N
XLogP0.60
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.60
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enoxymethyl)-1,4-dioxane?
The IUPAC name of 2-(prop-2-enoxymethyl)-1,4-dioxane (CID 10877389) is 2-(prop-2-enoxymethyl)-1,4-dioxane.
What is the SMILES notation for 2-(prop-2-enoxymethyl)-1,4-dioxane?
The canonical SMILES for 2-(prop-2-enoxymethyl)-1,4-dioxane is C=CCOCC1COCCO1.
What is the InChIKey of 2-(prop-2-enoxymethyl)-1,4-dioxane?
The InChIKey is IUMBDZPSBCALFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-2-3-9-6-8-7-10-4-5-11-8/h2,8H,1,3-7H2.
What are the key properties of 2-(prop-2-enoxymethyl)-1,4-dioxane?
2-(prop-2-enoxymethyl)-1,4-dioxane has a molecular weight of 158.20 g/mol, XLogP of 0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enoxymethyl)-1,4-dioxane is sourced from PubChem (CID 10877389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).