(E)-1,2-dichloro-1-methoxyethene

C3H4Cl2O — CID 15365828

IUPAC(E)-1,2-dichloro-1-methoxyethene
SMILESCO/C(Cl)=C\Cl
InChIInChI=1S/C3H4Cl2O/c1-6-3(5)2-4/h2H,1H3/b3-2-
InChIKeyRFPWKACYPUAOIP-IHWYPQMZSA-N
MW126.97 g/mol
LogP1.91
Rot. Bonds1

About (E)-1,2-dichloro-1-methoxyethene

(E)-1,2-dichloro-1-methoxyethene (PubChem CID 15365828) has the molecular formula C3H4Cl2O and a molecular weight of 126.97 g/mol. Its IUPAC name is (E)-1,2-dichloro-1-methoxyethene.

Molecular Properties

Compound Name(E)-1,2-dichloro-1-methoxyethene
PubChem CID15365828
Molecular FormulaC3H4Cl2O
Molecular Weight126.97 g/mol
Exact Mass125.96
IUPAC Name(E)-1,2-dichloro-1-methoxyethene
SMILESCO/C(Cl)=C\Cl
InChIInChI=1S/C3H4Cl2O/c1-6-3(5)2-4/h2H,1H3/b3-2-
InChIKeyRFPWKACYPUAOIP-IHWYPQMZSA-N
XLogP1.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.97
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (E)-1,2-dichloro-1-methoxyethene?
The IUPAC name of (E)-1,2-dichloro-1-methoxyethene (CID 15365828) is (E)-1,2-dichloro-1-methoxyethene.
What is the SMILES notation for (E)-1,2-dichloro-1-methoxyethene?
The canonical SMILES for (E)-1,2-dichloro-1-methoxyethene is CO/C(Cl)=C\Cl.
What is the InChIKey of (E)-1,2-dichloro-1-methoxyethene?
The InChIKey is RFPWKACYPUAOIP-IHWYPQMZSA-N. The full InChI is InChI=1S/C3H4Cl2O/c1-6-3(5)2-4/h2H,1H3/b3-2-.
What are the key properties of (E)-1,2-dichloro-1-methoxyethene?
(E)-1,2-dichloro-1-methoxyethene has a molecular weight of 126.97 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,2-dichloro-1-methoxyethene is sourced from PubChem (CID 15365828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).