1,2-dichloro-1-ethoxyethene

C4H6Cl2O — CID 53440473

IUPAC1,2-dichloro-1-ethoxyethene
SMILESCCOC(Cl)=CCl
InChIInChI=1S/C4H6Cl2O/c1-2-7-4(6)3-5/h3H,2H2,1H3
InChIKeyCIVPSPVLMYVHNC-UHFFFAOYSA-N
MW141.00 g/mol
LogP2.30
Rot. Bonds2

About 1,2-dichloro-1-ethoxyethene

1,2-dichloro-1-ethoxyethene (PubChem CID 53440473) has the molecular formula C4H6Cl2O and a molecular weight of 141.00 g/mol. Its IUPAC name is 1,2-dichloro-1-ethoxyethene.

Molecular Properties

Compound Name1,2-dichloro-1-ethoxyethene
PubChem CID53440473
Molecular FormulaC4H6Cl2O
Molecular Weight141.00 g/mol
Exact Mass139.98
IUPAC Name1,2-dichloro-1-ethoxyethene
SMILESCCOC(Cl)=CCl
InChIInChI=1S/C4H6Cl2O/c1-2-7-4(6)3-5/h3H,2H2,1H3
InChIKeyCIVPSPVLMYVHNC-UHFFFAOYSA-N
XLogP2.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.00
LogP ≤ 52.30
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 1,2-dichloro-1-ethoxyethene?
The IUPAC name of 1,2-dichloro-1-ethoxyethene (CID 53440473) is 1,2-dichloro-1-ethoxyethene.
What is the SMILES notation for 1,2-dichloro-1-ethoxyethene?
The canonical SMILES for 1,2-dichloro-1-ethoxyethene is CCOC(Cl)=CCl.
What is the InChIKey of 1,2-dichloro-1-ethoxyethene?
The InChIKey is CIVPSPVLMYVHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6Cl2O/c1-2-7-4(6)3-5/h3H,2H2,1H3.
What are the key properties of 1,2-dichloro-1-ethoxyethene?
1,2-dichloro-1-ethoxyethene has a molecular weight of 141.00 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-1-ethoxyethene is sourced from PubChem (CID 53440473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).