(E)-1-methoxy-2-(2-methoxyethynoxy)ethene

C6H8O3 — CID 22943303

IUPAC(E)-1-methoxy-2-(2-methoxyethynoxy)ethene
SMILESCOC#CO/C=C/OC
InChIInChI=1S/C6H8O3/c1-7-3-5-9-6-4-8-2/h3,5H,1-2H3/b5-3+
InChIKeyCGDDLRAVSAJUFA-HWKANZROSA-N
MW128.13 g/mol
LogP0.69
Rot. Bonds2

About (E)-1-methoxy-2-(2-methoxyethynoxy)ethene

(E)-1-methoxy-2-(2-methoxyethynoxy)ethene (PubChem CID 22943303) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is (E)-1-methoxy-2-(2-methoxyethynoxy)ethene.

Molecular Properties

Compound Name(E)-1-methoxy-2-(2-methoxyethynoxy)ethene
PubChem CID22943303
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name(E)-1-methoxy-2-(2-methoxyethynoxy)ethene
SMILESCOC#CO/C=C/OC
InChIInChI=1S/C6H8O3/c1-7-3-5-9-6-4-8-2/h3,5H,1-2H3/b5-3+
InChIKeyCGDDLRAVSAJUFA-HWKANZROSA-N
XLogP0.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-methoxy-2-(2-methoxyethynoxy)ethene?
The IUPAC name of (E)-1-methoxy-2-(2-methoxyethynoxy)ethene (CID 22943303) is (E)-1-methoxy-2-(2-methoxyethynoxy)ethene.
What is the SMILES notation for (E)-1-methoxy-2-(2-methoxyethynoxy)ethene?
The canonical SMILES for (E)-1-methoxy-2-(2-methoxyethynoxy)ethene is COC#CO/C=C/OC.
What is the InChIKey of (E)-1-methoxy-2-(2-methoxyethynoxy)ethene?
The InChIKey is CGDDLRAVSAJUFA-HWKANZROSA-N. The full InChI is InChI=1S/C6H8O3/c1-7-3-5-9-6-4-8-2/h3,5H,1-2H3/b5-3+.
What are the key properties of (E)-1-methoxy-2-(2-methoxyethynoxy)ethene?
(E)-1-methoxy-2-(2-methoxyethynoxy)ethene has a molecular weight of 128.13 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methoxy-2-(2-methoxyethynoxy)ethene is sourced from PubChem (CID 22943303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).