1,2-dimethoxyethene

C4H8O2 — CID 522390

IUPAC1,2-dimethoxyethene
SMILESCOC=COC
InChIInChI=1S/C4H8O2/c1-5-3-4-6-2/h3-4H,1-2H3
InChIKeySJQBHNHASPQACB-UHFFFAOYSA-N
MW88.11 g/mol
LogP0.75
Rot. Bonds2

About 1,2-dimethoxyethene

1,2-dimethoxyethene (PubChem CID 522390) has the molecular formula C4H8O2 and a molecular weight of 88.11 g/mol. Its IUPAC name is 1,2-dimethoxyethene.

Molecular Properties

Compound Name1,2-dimethoxyethene
PubChem CID522390
Molecular FormulaC4H8O2
Molecular Weight88.11 g/mol
Exact Mass88.05
IUPAC Name1,2-dimethoxyethene
SMILESCOC=COC
InChIInChI=1S/C4H8O2/c1-5-3-4-6-2/h3-4H,1-2H3
InChIKeySJQBHNHASPQACB-UHFFFAOYSA-N
XLogP0.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.11
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxyethene?
The IUPAC name of 1,2-dimethoxyethene (CID 522390) is 1,2-dimethoxyethene.
What is the SMILES notation for 1,2-dimethoxyethene?
The canonical SMILES for 1,2-dimethoxyethene is COC=COC.
What is the InChIKey of 1,2-dimethoxyethene?
The InChIKey is SJQBHNHASPQACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2/c1-5-3-4-6-2/h3-4H,1-2H3.
What are the key properties of 1,2-dimethoxyethene?
1,2-dimethoxyethene has a molecular weight of 88.11 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxyethene is sourced from PubChem (CID 522390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).