4-bromo-1-(2-ethoxyethoxy)pentane

C9H19BrO2 — CID 54122384

IUPAC4-bromo-1-(2-ethoxyethoxy)pentane
SMILESCCOCCOCCCC(C)Br
InChIInChI=1S/C9H19BrO2/c1-3-11-7-8-12-6-4-5-9(2)10/h9H,3-8H2,1-2H3
InChIKeyNOQCAFMEYVCYQB-UHFFFAOYSA-N
MW239.15 g/mol
LogP2.60
Rot. Bonds8

About 4-bromo-1-(2-ethoxyethoxy)pentane

4-bromo-1-(2-ethoxyethoxy)pentane (PubChem CID 54122384) has the molecular formula C9H19BrO2 and a molecular weight of 239.15 g/mol. Its IUPAC name is 4-bromo-1-(2-ethoxyethoxy)pentane.

Molecular Properties

Compound Name4-bromo-1-(2-ethoxyethoxy)pentane
PubChem CID54122384
Molecular FormulaC9H19BrO2
Molecular Weight239.15 g/mol
Exact Mass238.06
IUPAC Name4-bromo-1-(2-ethoxyethoxy)pentane
SMILESCCOCCOCCCC(C)Br
InChIInChI=1S/C9H19BrO2/c1-3-11-7-8-12-6-4-5-9(2)10/h9H,3-8H2,1-2H3
InChIKeyNOQCAFMEYVCYQB-UHFFFAOYSA-N
XLogP2.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.15
LogP ≤ 52.60
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'}

Analyze 4-bromo-1-(2-ethoxyethoxy)pentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-ethoxyethoxy)-3-methylbutane;1-(3-ethoxypropoxy)-3-methylbutane
CID 161271742
4-bromo-1-(2,2,2-trifluoroethoxy)pentane
CID 54772582
4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane
CID 58371353
(2R)-5-ethoxy-N-methylpentan-2-amine
CID 93424576
6-bromo-1-ethoxy-4,4-dimethylheptane
CID 65177799
1-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 141265881
1-ethoxy-17-methyloctadecane
CID 91042875
1-chloro-6-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]hexane
CID 89239780
1-[2-(2-ethoxyethoxy)ethoxy]-2-methylhexane
CID 59128190
5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane
CID 157231841
4-[2-(2-ethoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine
CID 146693023
6-ethoxy-3-ethylhexan-2-amine
CID 65181090

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-ethoxyethoxy)pentane?
The IUPAC name of 4-bromo-1-(2-ethoxyethoxy)pentane (CID 54122384) is 4-bromo-1-(2-ethoxyethoxy)pentane.
What is the SMILES notation for 4-bromo-1-(2-ethoxyethoxy)pentane?
The canonical SMILES for 4-bromo-1-(2-ethoxyethoxy)pentane is CCOCCOCCCC(C)Br.
What is the InChIKey of 4-bromo-1-(2-ethoxyethoxy)pentane?
The InChIKey is NOQCAFMEYVCYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BrO2/c1-3-11-7-8-12-6-4-5-9(2)10/h9H,3-8H2,1-2H3.
What are the key properties of 4-bromo-1-(2-ethoxyethoxy)pentane?
4-bromo-1-(2-ethoxyethoxy)pentane has a molecular weight of 239.15 g/mol, XLogP of 2.60, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2-ethoxyethoxy)pentane is sourced from PubChem (CID 54122384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).