2-ethoxy-4,4,5,5-tetraethynyl-1,3-dioxolane

C13H10O3 — CID 15256012

IUPAC2-ethoxy-4,4,5,5-tetraethynyl-1,3-dioxolane
SMILESC#CC1(C#C)OC(OCC)OC1(C#C)C#C
InChIInChI=1S/C13H10O3/c1-6-12(7-2)13(8-3,9-4)16-11(15-12)14-10-5/h1-4,11H,10H2,5H3
InChIKeyOXHNAPFKKNWRCU-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.36
Rot. Bonds2

About 2-ethoxy-4,4,5,5-tetraethynyl-1,3-dioxolane

2-ethoxy-4,4,5,5-tetraethynyl-1,3-dioxolane (PubChem CID 15256012) has the molecular formula C13H10O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-ethoxy-4,4,5,5-tetraethynyl-1,3-dioxolane.

Molecular Properties

Compound Name2-ethoxy-4,4,5,5-tetraethynyl-1,3-dioxolane
PubChem CID15256012
Molecular FormulaC13H10O3
Molecular Weight214.22 g/mol
Exact Mass214.06
IUPAC Name2-ethoxy-4,4,5,5-tetraethynyl-1,3-dioxolane
SMILESC#CC1(C#C)OC(OCC)OC1(C#C)C#C
InChIInChI=1S/C13H10O3/c1-6-12(7-2)13(8-3,9-4)16-11(15-12)14-10-5/h1-4,11H,10H2,5H3
InChIKeyOXHNAPFKKNWRCU-UHFFFAOYSA-N
XLogP0.36
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4,4,5,5-tetraethynyl-1,3-dioxolane?
The IUPAC name of 2-ethoxy-4,4,5,5-tetraethynyl-1,3-dioxolane (CID 15256012) is 2-ethoxy-4,4,5,5-tetraethynyl-1,3-dioxolane.
What is the SMILES notation for 2-ethoxy-4,4,5,5-tetraethynyl-1,3-dioxolane?
The canonical SMILES for 2-ethoxy-4,4,5,5-tetraethynyl-1,3-dioxolane is C#CC1(C#C)OC(OCC)OC1(C#C)C#C.
What is the InChIKey of 2-ethoxy-4,4,5,5-tetraethynyl-1,3-dioxolane?
The InChIKey is OXHNAPFKKNWRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3/c1-6-12(7-2)13(8-3,9-4)16-11(15-12)14-10-5/h1-4,11H,10H2,5H3.
What are the key properties of 2-ethoxy-4,4,5,5-tetraethynyl-1,3-dioxolane?
2-ethoxy-4,4,5,5-tetraethynyl-1,3-dioxolane has a molecular weight of 214.22 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4,4,5,5-tetraethynyl-1,3-dioxolane is sourced from PubChem (CID 15256012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).