1-chloro-2-(2-chloroethoxymethoxy)ethane

C5H10Cl2O2 — CID 8147

IUPAC1-chloro-2-(2-chloroethoxymethoxy)ethane
SMILESClCCOCOCCCl
InChIInChI=1S/C5H10Cl2O2/c6-1-3-8-5-9-4-2-7/h1-5H2
InChIKeyNLXGURFLBLRZRO-UHFFFAOYSA-N
MW173.04 g/mol
LogP1.45
Rot. Bonds6

About 1-chloro-2-(2-chloroethoxymethoxy)ethane

1-chloro-2-(2-chloroethoxymethoxy)ethane (PubChem CID 8147) has the molecular formula C5H10Cl2O2 and a molecular weight of 173.04 g/mol. Its IUPAC name is 1-chloro-2-(2-chloroethoxymethoxy)ethane.

Molecular Properties

Compound Name1-chloro-2-(2-chloroethoxymethoxy)ethane
PubChem CID8147
Molecular FormulaC5H10Cl2O2
Molecular Weight173.04 g/mol
Exact Mass172.01
IUPAC Name1-chloro-2-(2-chloroethoxymethoxy)ethane
SMILESClCCOCOCCCl
InChIInChI=1S/C5H10Cl2O2/c6-1-3-8-5-9-4-2-7/h1-5H2
InChIKeyNLXGURFLBLRZRO-UHFFFAOYSA-N
XLogP1.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.04
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-2-(2-chloroethoxymethoxy)ethane?
The IUPAC name of 1-chloro-2-(2-chloroethoxymethoxy)ethane (CID 8147) is 1-chloro-2-(2-chloroethoxymethoxy)ethane.
What is the SMILES notation for 1-chloro-2-(2-chloroethoxymethoxy)ethane?
The canonical SMILES for 1-chloro-2-(2-chloroethoxymethoxy)ethane is ClCCOCOCCCl.
What is the InChIKey of 1-chloro-2-(2-chloroethoxymethoxy)ethane?
The InChIKey is NLXGURFLBLRZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10Cl2O2/c6-1-3-8-5-9-4-2-7/h1-5H2.
What are the key properties of 1-chloro-2-(2-chloroethoxymethoxy)ethane?
1-chloro-2-(2-chloroethoxymethoxy)ethane has a molecular weight of 173.04 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(2-chloroethoxymethoxy)ethane is sourced from PubChem (CID 8147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).