5-prop-1-en-2-yl-1,3-dioxane

C7H12O2 — CID 14685703

IUPAC5-prop-1-en-2-yl-1,3-dioxane
SMILESC=C(C)C1COCOC1
InChIInChI=1S/C7H12O2/c1-6(2)7-3-8-5-9-4-7/h7H,1,3-5H2,2H3
InChIKeyQQGJPZKGFLTKJL-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.18
Rot. Bonds1

About 5-prop-1-en-2-yl-1,3-dioxane

5-prop-1-en-2-yl-1,3-dioxane (PubChem CID 14685703) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 5-prop-1-en-2-yl-1,3-dioxane.

Molecular Properties

Compound Name5-prop-1-en-2-yl-1,3-dioxane
PubChem CID14685703
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name5-prop-1-en-2-yl-1,3-dioxane
SMILESC=C(C)C1COCOC1
InChIInChI=1S/C7H12O2/c1-6(2)7-3-8-5-9-4-7/h7H,1,3-5H2,2H3
InChIKeyQQGJPZKGFLTKJL-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
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 5-prop-1-en-2-yl-1,3-dioxane?
The IUPAC name of 5-prop-1-en-2-yl-1,3-dioxane (CID 14685703) is 5-prop-1-en-2-yl-1,3-dioxane.
What is the SMILES notation for 5-prop-1-en-2-yl-1,3-dioxane?
The canonical SMILES for 5-prop-1-en-2-yl-1,3-dioxane is C=C(C)C1COCOC1.
What is the InChIKey of 5-prop-1-en-2-yl-1,3-dioxane?
The InChIKey is QQGJPZKGFLTKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-6(2)7-3-8-5-9-4-7/h7H,1,3-5H2,2H3.
What are the key properties of 5-prop-1-en-2-yl-1,3-dioxane?
5-prop-1-en-2-yl-1,3-dioxane has a molecular weight of 128.17 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-1-en-2-yl-1,3-dioxane is sourced from PubChem (CID 14685703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).