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

C7H12O2 — CID 11378501

IUPAC2-[(E)-prop-1-enyl]-1,3-dioxane
SMILESC/C=C/C1OCCCO1
InChIInChI=1S/C7H12O2/c1-2-4-7-8-5-3-6-9-7/h2,4,7H,3,5-6H2,1H3/b4-2+
InChIKeyIZHVWOMGCHCRHJ-DUXPYHPUSA-N
MW128.17 g/mol
LogP1.33
Rot. Bonds1

About 2-[(E)-prop-1-enyl]-1,3-dioxane

2-[(E)-prop-1-enyl]-1,3-dioxane (PubChem CID 11378501) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-[(E)-prop-1-enyl]-1,3-dioxane.

Molecular Properties

Compound Name2-[(E)-prop-1-enyl]-1,3-dioxane
PubChem CID11378501
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name2-[(E)-prop-1-enyl]-1,3-dioxane
SMILESC/C=C/C1OCCCO1
InChIInChI=1S/C7H12O2/c1-2-4-7-8-5-3-6-9-7/h2,4,7H,3,5-6H2,1H3/b4-2+
InChIKeyIZHVWOMGCHCRHJ-DUXPYHPUSA-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 2-[(E)-prop-1-enyl]-1,3-dioxane?
The IUPAC name of 2-[(E)-prop-1-enyl]-1,3-dioxane (CID 11378501) is 2-[(E)-prop-1-enyl]-1,3-dioxane.
What is the SMILES notation for 2-[(E)-prop-1-enyl]-1,3-dioxane?
The canonical SMILES for 2-[(E)-prop-1-enyl]-1,3-dioxane is C/C=C/C1OCCCO1.
What is the InChIKey of 2-[(E)-prop-1-enyl]-1,3-dioxane?
The InChIKey is IZHVWOMGCHCRHJ-DUXPYHPUSA-N. The full InChI is InChI=1S/C7H12O2/c1-2-4-7-8-5-3-6-9-7/h2,4,7H,3,5-6H2,1H3/b4-2+.
What are the key properties of 2-[(E)-prop-1-enyl]-1,3-dioxane?
2-[(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 2-[(E)-prop-1-enyl]-1,3-dioxane is sourced from PubChem (CID 11378501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).