1-chloro-1,2-dimethoxyethene

C4H7ClO2 — CID 57036207

IUPAC1-chloro-1,2-dimethoxyethene
SMILESCOC=C(Cl)OC
InChIInChI=1S/C4H7ClO2/c1-6-3-4(5)7-2/h3H,1-2H3
InChIKeyUPSNWSZKVITFLM-UHFFFAOYSA-N
MW122.55 g/mol
LogP1.32
Rot. Bonds2

About 1-chloro-1,2-dimethoxyethene

1-chloro-1,2-dimethoxyethene (PubChem CID 57036207) has the molecular formula C4H7ClO2 and a molecular weight of 122.55 g/mol. Its IUPAC name is 1-chloro-1,2-dimethoxyethene.

Molecular Properties

Compound Name1-chloro-1,2-dimethoxyethene
PubChem CID57036207
Molecular FormulaC4H7ClO2
Molecular Weight122.55 g/mol
Exact Mass122.01
IUPAC Name1-chloro-1,2-dimethoxyethene
SMILESCOC=C(Cl)OC
InChIInChI=1S/C4H7ClO2/c1-6-3-4(5)7-2/h3H,1-2H3
InChIKeyUPSNWSZKVITFLM-UHFFFAOYSA-N
XLogP1.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.55
LogP ≤ 51.32
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-chloro-1,2-dimethoxyethene?
The IUPAC name of 1-chloro-1,2-dimethoxyethene (CID 57036207) is 1-chloro-1,2-dimethoxyethene.
What is the SMILES notation for 1-chloro-1,2-dimethoxyethene?
The canonical SMILES for 1-chloro-1,2-dimethoxyethene is COC=C(Cl)OC.
What is the InChIKey of 1-chloro-1,2-dimethoxyethene?
The InChIKey is UPSNWSZKVITFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClO2/c1-6-3-4(5)7-2/h3H,1-2H3.
What are the key properties of 1-chloro-1,2-dimethoxyethene?
1-chloro-1,2-dimethoxyethene has a molecular weight of 122.55 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,2-dimethoxyethene is sourced from PubChem (CID 57036207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).