2-ethenyl-2-ethynyl-4-methyl-1,3-dioxolane

C8H10O2 — CID 59269414

IUPAC2-ethenyl-2-ethynyl-4-methyl-1,3-dioxolane
SMILESC#CC1(C=C)OCC(C)O1
InChIInChI=1S/C8H10O2/c1-4-8(5-2)9-6-7(3)10-8/h1,5,7H,2,6H2,3H3
InChIKeyWAEIFNVZEGRBAA-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.94
Rot. Bonds1

About 2-ethenyl-2-ethynyl-4-methyl-1,3-dioxolane

2-ethenyl-2-ethynyl-4-methyl-1,3-dioxolane (PubChem CID 59269414) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-ethenyl-2-ethynyl-4-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-ethenyl-2-ethynyl-4-methyl-1,3-dioxolane
PubChem CID59269414
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name2-ethenyl-2-ethynyl-4-methyl-1,3-dioxolane
SMILESC#CC1(C=C)OCC(C)O1
InChIInChI=1S/C8H10O2/c1-4-8(5-2)9-6-7(3)10-8/h1,5,7H,2,6H2,3H3
InChIKeyWAEIFNVZEGRBAA-UHFFFAOYSA-N
XLogP0.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.94
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-4-methyl-1,3-dioxolane?
The IUPAC name of 2-ethenyl-2-ethynyl-4-methyl-1,3-dioxolane (CID 59269414) is 2-ethenyl-2-ethynyl-4-methyl-1,3-dioxolane.
What is the SMILES notation for 2-ethenyl-2-ethynyl-4-methyl-1,3-dioxolane?
The canonical SMILES for 2-ethenyl-2-ethynyl-4-methyl-1,3-dioxolane is C#CC1(C=C)OCC(C)O1.
What is the InChIKey of 2-ethenyl-2-ethynyl-4-methyl-1,3-dioxolane?
The InChIKey is WAEIFNVZEGRBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-4-8(5-2)9-6-7(3)10-8/h1,5,7H,2,6H2,3H3.
What are the key properties of 2-ethenyl-2-ethynyl-4-methyl-1,3-dioxolane?
2-ethenyl-2-ethynyl-4-methyl-1,3-dioxolane has a molecular weight of 138.17 g/mol, XLogP of 0.94, 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-4-methyl-1,3-dioxolane is sourced from PubChem (CID 59269414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).