dichloromethoxyethane

C3H6Cl2O — CID 12643245

IUPACdichloromethoxyethane
SMILESCCOC(Cl)Cl
InChIInChI=1S/C3H6Cl2O/c1-2-6-3(4)5/h3H,2H2,1H3
InChIKeyMJNJTZVLAVUIDU-UHFFFAOYSA-N
MW128.99 g/mol
LogP1.78
Rot. Bonds2

About dichloromethoxyethane

dichloromethoxyethane (PubChem CID 12643245) has the molecular formula C3H6Cl2O and a molecular weight of 128.99 g/mol. Its IUPAC name is dichloromethoxyethane.

Molecular Properties

Compound Namedichloromethoxyethane
PubChem CID12643245
Molecular FormulaC3H6Cl2O
Molecular Weight128.99 g/mol
Exact Mass127.98
IUPAC Namedichloromethoxyethane
SMILESCCOC(Cl)Cl
InChIInChI=1S/C3H6Cl2O/c1-2-6-3(4)5/h3H,2H2,1H3
InChIKeyMJNJTZVLAVUIDU-UHFFFAOYSA-N
XLogP1.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.99
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dichloromethoxyethane?
The IUPAC name of dichloromethoxyethane (CID 12643245) is dichloromethoxyethane.
What is the SMILES notation for dichloromethoxyethane?
The canonical SMILES for dichloromethoxyethane is CCOC(Cl)Cl.
What is the InChIKey of dichloromethoxyethane?
The InChIKey is MJNJTZVLAVUIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6Cl2O/c1-2-6-3(4)5/h3H,2H2,1H3.
What are the key properties of dichloromethoxyethane?
dichloromethoxyethane has a molecular weight of 128.99 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethoxyethane is sourced from PubChem (CID 12643245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).