4-[(E)-prop-1-enyl]-1,3-dioxane

C7H12O2 — CID 11137179

IUPAC4-[(E)-prop-1-enyl]-1,3-dioxane
SMILESC/C=C/C1CCOCO1
InChIInChI=1S/C7H12O2/c1-2-3-7-4-5-8-6-9-7/h2-3,7H,4-6H2,1H3/b3-2+
InChIKeyNQDVXWSFXIVVAF-NSCUHMNNSA-N
MW128.17 g/mol
LogP1.33
Rot. Bonds1

About 4-[(E)-prop-1-enyl]-1,3-dioxane

4-[(E)-prop-1-enyl]-1,3-dioxane (PubChem CID 11137179) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 4-[(E)-prop-1-enyl]-1,3-dioxane.

Molecular Properties

Compound Name4-[(E)-prop-1-enyl]-1,3-dioxane
PubChem CID11137179
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name4-[(E)-prop-1-enyl]-1,3-dioxane
SMILESC/C=C/C1CCOCO1
InChIInChI=1S/C7H12O2/c1-2-3-7-4-5-8-6-9-7/h2-3,7H,4-6H2,1H3/b3-2+
InChIKeyNQDVXWSFXIVVAF-NSCUHMNNSA-N
XLogP1.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-prop-1-enyl]-1,3-dioxane?
The IUPAC name of 4-[(E)-prop-1-enyl]-1,3-dioxane (CID 11137179) is 4-[(E)-prop-1-enyl]-1,3-dioxane.
What is the SMILES notation for 4-[(E)-prop-1-enyl]-1,3-dioxane?
The canonical SMILES for 4-[(E)-prop-1-enyl]-1,3-dioxane is C/C=C/C1CCOCO1.
What is the InChIKey of 4-[(E)-prop-1-enyl]-1,3-dioxane?
The InChIKey is NQDVXWSFXIVVAF-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H12O2/c1-2-3-7-4-5-8-6-9-7/h2-3,7H,4-6H2,1H3/b3-2+.
What are the key properties of 4-[(E)-prop-1-enyl]-1,3-dioxane?
4-[(E)-prop-1-enyl]-1,3-dioxane has a molecular weight of 128.17 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-prop-1-enyl]-1,3-dioxane is sourced from PubChem (CID 11137179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).