1-bromo-1,2-dimethoxyethene

C4H7BrO2 — CID 71403818

IUPAC1-bromo-1,2-dimethoxyethene
SMILESCOC=C(Br)OC
InChIInChI=1S/C4H7BrO2/c1-6-3-4(5)7-2/h3H,1-2H3
InChIKeyCNQFAWVHKQTATO-UHFFFAOYSA-N
MW167.00 g/mol
LogP1.47
Rot. Bonds2

About 1-bromo-1,2-dimethoxyethene

1-bromo-1,2-dimethoxyethene (PubChem CID 71403818) has the molecular formula C4H7BrO2 and a molecular weight of 167.00 g/mol. Its IUPAC name is 1-bromo-1,2-dimethoxyethene.

Molecular Properties

Compound Name1-bromo-1,2-dimethoxyethene
PubChem CID71403818
Molecular FormulaC4H7BrO2
Molecular Weight167.00 g/mol
Exact Mass165.96
IUPAC Name1-bromo-1,2-dimethoxyethene
SMILESCOC=C(Br)OC
InChIInChI=1S/C4H7BrO2/c1-6-3-4(5)7-2/h3H,1-2H3
InChIKeyCNQFAWVHKQTATO-UHFFFAOYSA-N
XLogP1.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.00
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-bromo-1,2-dimethoxyethene 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 1-bromo-1,2-dimethoxyethene?
The IUPAC name of 1-bromo-1,2-dimethoxyethene (CID 71403818) is 1-bromo-1,2-dimethoxyethene.
What is the SMILES notation for 1-bromo-1,2-dimethoxyethene?
The canonical SMILES for 1-bromo-1,2-dimethoxyethene is COC=C(Br)OC.
What is the InChIKey of 1-bromo-1,2-dimethoxyethene?
The InChIKey is CNQFAWVHKQTATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7BrO2/c1-6-3-4(5)7-2/h3H,1-2H3.
What are the key properties of 1-bromo-1,2-dimethoxyethene?
1-bromo-1,2-dimethoxyethene has a molecular weight of 167.00 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1,2-dimethoxyethene is sourced from PubChem (CID 71403818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).