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

C14H29ClO4 — CID 89239780

IUPAC1-chloro-6-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]hexane
SMILESCCOCCOCCOCCOCCCCCCCl
InChIInChI=1S/C14H29ClO4/c1-2-16-9-10-18-13-14-19-12-11-17-8-6-4-3-5-7-15/h2-14H2,1H3
InChIKeyHQJVTEVEKFAJOT-UHFFFAOYSA-N
MW296.83 g/mol
LogP2.87
Rot. Bonds16

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

1-chloro-6-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]hexane (PubChem CID 89239780) has the molecular formula C14H29ClO4 and a molecular weight of 296.83 g/mol. Its IUPAC name is 1-chloro-6-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]hexane.

Molecular Properties

Compound Name1-chloro-6-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]hexane
PubChem CID89239780
Molecular FormulaC14H29ClO4
Molecular Weight296.83 g/mol
Exact Mass296.18
IUPAC Name1-chloro-6-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]hexane
SMILESCCOCCOCCOCCOCCCCCCCl
InChIInChI=1S/C14H29ClO4/c1-2-16-9-10-18-13-14-19-12-11-17-8-6-4-3-5-7-15/h2-14H2,1H3
InChIKeyHQJVTEVEKFAJOT-UHFFFAOYSA-N
XLogP2.87
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.83
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-14-ethoxytetradecane
CID 173330502
1-(5-chloropentoxy)octane
CID 43348463
1-chloro-6-[2-(2-chloroethoxy)ethoxy]hexane
CID 176729124
1-chloro-5-(2-methoxyethoxy)pentane
CID 43348436
2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethanamine;chloromethane
CID 170630324
1-chloro-6-[2-(3-methylsulfanylpropoxy)ethoxy]hexane
CID 126668249
1-(3-ethoxypropoxy)tetradecane
CID 91693148
dichloro-[11-[2-(2-ethoxyethoxy)ethoxy]undecyl]-methylsilane
CID 142718627
1-(2-chloroethoxy)octane
CID 20788542
4-(2-ethoxyethoxy)butan-1-ol
CID 15885586
1-ethoxy-14-(8-fluorooctoxy)tetradecane
CID 139714700
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-(2-ethoxyethoxy)ethoxy]ethoxy]hexane?
The IUPAC name of 1-chloro-6-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]hexane (CID 89239780) is 1-chloro-6-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]hexane.
What is the SMILES notation for 1-chloro-6-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]hexane?
The canonical SMILES for 1-chloro-6-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]hexane is CCOCCOCCOCCOCCCCCCCl.
What is the InChIKey of 1-chloro-6-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]hexane?
The InChIKey is HQJVTEVEKFAJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29ClO4/c1-2-16-9-10-18-13-14-19-12-11-17-8-6-4-3-5-7-15/h2-14H2,1H3.
What are the key properties of 1-chloro-6-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]hexane?
1-chloro-6-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]hexane has a molecular weight of 296.83 g/mol, XLogP of 2.87, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-6-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]hexane is sourced from PubChem (CID 89239780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).