4-(prop-2-enoxymethyl)-1,3-dioxane

C8H14O3 — CID 15094097

IUPAC4-(prop-2-enoxymethyl)-1,3-dioxane
SMILESC=CCOCC1CCOCO1
InChIInChI=1S/C8H14O3/c1-2-4-9-6-8-3-5-10-7-11-8/h2,8H,1,3-7H2
InChIKeyXGTPTKJDQRXSDN-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.95
Rot. Bonds4

About 4-(prop-2-enoxymethyl)-1,3-dioxane

4-(prop-2-enoxymethyl)-1,3-dioxane (PubChem CID 15094097) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 4-(prop-2-enoxymethyl)-1,3-dioxane.

Molecular Properties

Compound Name4-(prop-2-enoxymethyl)-1,3-dioxane
PubChem CID15094097
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name4-(prop-2-enoxymethyl)-1,3-dioxane
SMILESC=CCOCC1CCOCO1
InChIInChI=1S/C8H14O3/c1-2-4-9-6-8-3-5-10-7-11-8/h2,8H,1,3-7H2
InChIKeyXGTPTKJDQRXSDN-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
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 4-(prop-2-enoxymethyl)-1,3-dioxane?
The IUPAC name of 4-(prop-2-enoxymethyl)-1,3-dioxane (CID 15094097) is 4-(prop-2-enoxymethyl)-1,3-dioxane.
What is the SMILES notation for 4-(prop-2-enoxymethyl)-1,3-dioxane?
The canonical SMILES for 4-(prop-2-enoxymethyl)-1,3-dioxane is C=CCOCC1CCOCO1.
What is the InChIKey of 4-(prop-2-enoxymethyl)-1,3-dioxane?
The InChIKey is XGTPTKJDQRXSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-2-4-9-6-8-3-5-10-7-11-8/h2,8H,1,3-7H2.
What are the key properties of 4-(prop-2-enoxymethyl)-1,3-dioxane?
4-(prop-2-enoxymethyl)-1,3-dioxane has a molecular weight of 158.20 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(prop-2-enoxymethyl)-1,3-dioxane is sourced from PubChem (CID 15094097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).