1-chloro-6-[2-(2-chloroethoxy)ethoxy]hexane

C10H20Cl2O2 — CID 176729124

IUPAC1-chloro-6-[2-(2-chloroethoxy)ethoxy]hexane
SMILESClCCCCCCOCCOCCCl
InChIInChI=1S/C10H20Cl2O2/c11-5-3-1-2-4-7-13-9-10-14-8-6-12/h1-10H2
InChIKeyOCLXVUDZWYYXRZ-UHFFFAOYSA-N
MW243.17 g/mol
LogP3.06
Rot. Bonds11

About 1-chloro-6-[2-(2-chloroethoxy)ethoxy]hexane

1-chloro-6-[2-(2-chloroethoxy)ethoxy]hexane (PubChem CID 176729124) has the molecular formula C10H20Cl2O2 and a molecular weight of 243.17 g/mol. Its IUPAC name is 1-chloro-6-[2-(2-chloroethoxy)ethoxy]hexane.

Molecular Properties

Compound Name1-chloro-6-[2-(2-chloroethoxy)ethoxy]hexane
PubChem CID176729124
Molecular FormulaC10H20Cl2O2
Molecular Weight243.17 g/mol
Exact Mass242.08
IUPAC Name1-chloro-6-[2-(2-chloroethoxy)ethoxy]hexane
SMILESClCCCCCCOCCOCCCl
InChIInChI=1S/C10H20Cl2O2/c11-5-3-1-2-4-7-13-9-10-14-8-6-12/h1-10H2
InChIKeyOCLXVUDZWYYXRZ-UHFFFAOYSA-N
XLogP3.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.17
LogP ≤ 53.06
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'}

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Related Compounds

1-chloro-5-(2-methoxyethoxy)pentane
CID 43348436
1-chloro-6-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]hexane
CID 89239780
1-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethane
CID 13072765
1-(2-chloroethoxy)octane
CID 20788542
1-(5-chloropentoxy)octane
CID 43348463
2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethanamine;chloromethane
CID 170630324
1-(2-chloroethoxy)-3-[2-(2-chloroethoxy)ethoxymethoxy]propane
CID 21428408
1-chloro-6-[2-(3-methylsulfanylpropoxy)ethoxy]hexane
CID 126668249
1-chloro-14-ethoxytetradecane
CID 173330502
2-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 134694956
1-chloro-2-(2-chloroethoxy)ethane;dichloromethane
CID 174956973
2-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 155982389

Frequently Asked Questions

What is the IUPAC name of 1-chloro-6-[2-(2-chloroethoxy)ethoxy]hexane?
The IUPAC name of 1-chloro-6-[2-(2-chloroethoxy)ethoxy]hexane (CID 176729124) is 1-chloro-6-[2-(2-chloroethoxy)ethoxy]hexane.
What is the SMILES notation for 1-chloro-6-[2-(2-chloroethoxy)ethoxy]hexane?
The canonical SMILES for 1-chloro-6-[2-(2-chloroethoxy)ethoxy]hexane is ClCCCCCCOCCOCCCl.
What is the InChIKey of 1-chloro-6-[2-(2-chloroethoxy)ethoxy]hexane?
The InChIKey is OCLXVUDZWYYXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20Cl2O2/c11-5-3-1-2-4-7-13-9-10-14-8-6-12/h1-10H2.
What are the key properties of 1-chloro-6-[2-(2-chloroethoxy)ethoxy]hexane?
1-chloro-6-[2-(2-chloroethoxy)ethoxy]hexane has a molecular weight of 243.17 g/mol, XLogP of 3.06, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-6-[2-(2-chloroethoxy)ethoxy]hexane is sourced from PubChem (CID 176729124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).