1-chloro-1-ethoxy-1-methoxyethane

C5H11ClO2 — CID 87908688

IUPAC1-chloro-1-ethoxy-1-methoxyethane
SMILESCCOC(C)(Cl)OC
InChIInChI=1S/C5H11ClO2/c1-4-8-5(2,6)7-3/h4H2,1-3H3
InChIKeyAKJXDAHQSKUTBJ-UHFFFAOYSA-N
MW138.59 g/mol
LogP1.58
Rot. Bonds3

About 1-chloro-1-ethoxy-1-methoxyethane

1-chloro-1-ethoxy-1-methoxyethane (PubChem CID 87908688) has the molecular formula C5H11ClO2 and a molecular weight of 138.59 g/mol. Its IUPAC name is 1-chloro-1-ethoxy-1-methoxyethane.

Molecular Properties

Compound Name1-chloro-1-ethoxy-1-methoxyethane
PubChem CID87908688
Molecular FormulaC5H11ClO2
Molecular Weight138.59 g/mol
Exact Mass138.04
IUPAC Name1-chloro-1-ethoxy-1-methoxyethane
SMILESCCOC(C)(Cl)OC
InChIInChI=1S/C5H11ClO2/c1-4-8-5(2,6)7-3/h4H2,1-3H3
InChIKeyAKJXDAHQSKUTBJ-UHFFFAOYSA-N
XLogP1.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.59
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-ethoxy-1-methoxyethane?
The IUPAC name of 1-chloro-1-ethoxy-1-methoxyethane (CID 87908688) is 1-chloro-1-ethoxy-1-methoxyethane.
What is the SMILES notation for 1-chloro-1-ethoxy-1-methoxyethane?
The canonical SMILES for 1-chloro-1-ethoxy-1-methoxyethane is CCOC(C)(Cl)OC.
What is the InChIKey of 1-chloro-1-ethoxy-1-methoxyethane?
The InChIKey is AKJXDAHQSKUTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClO2/c1-4-8-5(2,6)7-3/h4H2,1-3H3.
What are the key properties of 1-chloro-1-ethoxy-1-methoxyethane?
1-chloro-1-ethoxy-1-methoxyethane has a molecular weight of 138.59 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-ethoxy-1-methoxyethane is sourced from PubChem (CID 87908688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).