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

C9H12O2 — CID 89076435

IUPAC2-ethenyl-4-ethyl-2-ethynyl-1,3-dioxolane
SMILESC#CC1(C=C)OCC(CC)O1
InChIInChI=1S/C9H12O2/c1-4-8-7-10-9(5-2,6-3)11-8/h2,6,8H,3-4,7H2,1H3
InChIKeyMZEBWFAXKQVUQH-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.33
Rot. Bonds2

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

2-ethenyl-4-ethyl-2-ethynyl-1,3-dioxolane (PubChem CID 89076435) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 2-ethenyl-4-ethyl-2-ethynyl-1,3-dioxolane.

Molecular Properties

Compound Name2-ethenyl-4-ethyl-2-ethynyl-1,3-dioxolane
PubChem CID89076435
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name2-ethenyl-4-ethyl-2-ethynyl-1,3-dioxolane
SMILESC#CC1(C=C)OCC(CC)O1
InChIInChI=1S/C9H12O2/c1-4-8-7-10-9(5-2,6-3)11-8/h2,6,8H,3-4,7H2,1H3
InChIKeyMZEBWFAXKQVUQH-UHFFFAOYSA-N
XLogP1.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.33
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'}

Analyze 2-ethenyl-4-ethyl-2-ethynyl-1,3-dioxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4-ethyl-2-ethynyl-1,3-dioxolane?
The IUPAC name of 2-ethenyl-4-ethyl-2-ethynyl-1,3-dioxolane (CID 89076435) is 2-ethenyl-4-ethyl-2-ethynyl-1,3-dioxolane.
What is the SMILES notation for 2-ethenyl-4-ethyl-2-ethynyl-1,3-dioxolane?
The canonical SMILES for 2-ethenyl-4-ethyl-2-ethynyl-1,3-dioxolane is C#CC1(C=C)OCC(CC)O1.
What is the InChIKey of 2-ethenyl-4-ethyl-2-ethynyl-1,3-dioxolane?
The InChIKey is MZEBWFAXKQVUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-4-8-7-10-9(5-2,6-3)11-8/h2,6,8H,3-4,7H2,1H3.
What are the key properties of 2-ethenyl-4-ethyl-2-ethynyl-1,3-dioxolane?
2-ethenyl-4-ethyl-2-ethynyl-1,3-dioxolane has a molecular weight of 152.19 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-ethyl-2-ethynyl-1,3-dioxolane is sourced from PubChem (CID 89076435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).