2-ethenyl-2-ethynyl-5-methyl-1,3-dioxane

C9H12O2 — CID 59269747

IUPAC2-ethenyl-2-ethynyl-5-methyl-1,3-dioxane
SMILESC#CC1(C=C)OCC(C)CO1
InChIInChI=1S/C9H12O2/c1-4-9(5-2)10-6-8(3)7-11-9/h1,5,8H,2,6-7H2,3H3
InChIKeyDWSZZBRXEYGQAQ-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.18
Rot. Bonds1

About 2-ethenyl-2-ethynyl-5-methyl-1,3-dioxane

2-ethenyl-2-ethynyl-5-methyl-1,3-dioxane (PubChem CID 59269747) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 2-ethenyl-2-ethynyl-5-methyl-1,3-dioxane.

Molecular Properties

Compound Name2-ethenyl-2-ethynyl-5-methyl-1,3-dioxane
PubChem CID59269747
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name2-ethenyl-2-ethynyl-5-methyl-1,3-dioxane
SMILESC#CC1(C=C)OCC(C)CO1
InChIInChI=1S/C9H12O2/c1-4-9(5-2)10-6-8(3)7-11-9/h1,5,8H,2,6-7H2,3H3
InChIKeyDWSZZBRXEYGQAQ-UHFFFAOYSA-N
XLogP1.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2-ethynyl-5-methyl-1,3-dioxane?
The IUPAC name of 2-ethenyl-2-ethynyl-5-methyl-1,3-dioxane (CID 59269747) is 2-ethenyl-2-ethynyl-5-methyl-1,3-dioxane.
What is the SMILES notation for 2-ethenyl-2-ethynyl-5-methyl-1,3-dioxane?
The canonical SMILES for 2-ethenyl-2-ethynyl-5-methyl-1,3-dioxane is C#CC1(C=C)OCC(C)CO1.
What is the InChIKey of 2-ethenyl-2-ethynyl-5-methyl-1,3-dioxane?
The InChIKey is DWSZZBRXEYGQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-4-9(5-2)10-6-8(3)7-11-9/h1,5,8H,2,6-7H2,3H3.
What are the key properties of 2-ethenyl-2-ethynyl-5-methyl-1,3-dioxane?
2-ethenyl-2-ethynyl-5-methyl-1,3-dioxane has a molecular weight of 152.19 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 2-ethenyl-2-ethynyl-5-methyl-1,3-dioxane is sourced from PubChem (CID 59269747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).