5-chloro-4-ethyl-1-(2-methoxyethoxy)hexane

C11H23ClO2 — CID 103411865

IUPAC5-chloro-4-ethyl-1-(2-methoxyethoxy)hexane
SMILESCCC(CCCOCCOC)C(C)Cl
InChIInChI=1S/C11H23ClO2/c1-4-11(10(2)12)6-5-7-14-9-8-13-3/h10-11H,4-9H2,1-3H3
InChIKeyHINLJFUDDUAKBW-UHFFFAOYSA-N
MW222.76 g/mol
LogP3.08
Rot. Bonds9

About 5-chloro-4-ethyl-1-(2-methoxyethoxy)hexane

5-chloro-4-ethyl-1-(2-methoxyethoxy)hexane (PubChem CID 103411865) has the molecular formula C11H23ClO2 and a molecular weight of 222.76 g/mol. Its IUPAC name is 5-chloro-4-ethyl-1-(2-methoxyethoxy)hexane.

Molecular Properties

Compound Name5-chloro-4-ethyl-1-(2-methoxyethoxy)hexane
PubChem CID103411865
Molecular FormulaC11H23ClO2
Molecular Weight222.76 g/mol
Exact Mass222.14
IUPAC Name5-chloro-4-ethyl-1-(2-methoxyethoxy)hexane
SMILESCCC(CCCOCCOC)C(C)Cl
InChIInChI=1S/C11H23ClO2/c1-4-11(10(2)12)6-5-7-14-9-8-13-3/h10-11H,4-9H2,1-3H3
InChIKeyHINLJFUDDUAKBW-UHFFFAOYSA-N
XLogP3.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.76
LogP ≤ 53.08
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-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentane
CID 58473516
4-chloro-3-ethyl-1-propoxypentane
CID 106455983
5-(2-methoxyethoxy)-2-propan-2-ylpentan-1-amine
CID 103412271
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylpentane
CID 126547555
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
6-(2-methoxyethoxy)-3-methylhexan-2-amine
CID 103410671
3-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-N-methylpentan-2-amine
CID 104564561
9-ethyl-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4,10-dimethylundecan-3-one
CID 171600286
1-(2-methoxyethoxymethoxy)-4-methylpentane
CID 157079781
1,8-bis(2-methoxyethoxy)octane
CID 143118909
1-chloro-5-(2-methoxyethoxy)pentane
CID 43348436
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-ethyl-1-(2-methoxyethoxy)hexane?
The IUPAC name of 5-chloro-4-ethyl-1-(2-methoxyethoxy)hexane (CID 103411865) is 5-chloro-4-ethyl-1-(2-methoxyethoxy)hexane.
What is the SMILES notation for 5-chloro-4-ethyl-1-(2-methoxyethoxy)hexane?
The canonical SMILES for 5-chloro-4-ethyl-1-(2-methoxyethoxy)hexane is CCC(CCCOCCOC)C(C)Cl.
What is the InChIKey of 5-chloro-4-ethyl-1-(2-methoxyethoxy)hexane?
The InChIKey is HINLJFUDDUAKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClO2/c1-4-11(10(2)12)6-5-7-14-9-8-13-3/h10-11H,4-9H2,1-3H3.
What are the key properties of 5-chloro-4-ethyl-1-(2-methoxyethoxy)hexane?
5-chloro-4-ethyl-1-(2-methoxyethoxy)hexane has a molecular weight of 222.76 g/mol, XLogP of 3.08, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-ethyl-1-(2-methoxyethoxy)hexane is sourced from PubChem (CID 103411865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).