1-[2-(2-bromoethoxy)ethoxy]hexane

C10H21BrO2 — CID 15752648

IUPAC1-[2-(2-bromoethoxy)ethoxy]hexane
SMILESCCCCCCOCCOCCBr
InChIInChI=1S/C10H21BrO2/c1-2-3-4-5-7-12-9-10-13-8-6-11/h2-10H2,1H3
InChIKeyXKWCTSJLIHUEQR-UHFFFAOYSA-N
MW253.18 g/mol
LogP2.99
Rot. Bonds10

About 1-[2-(2-bromoethoxy)ethoxy]hexane

1-[2-(2-bromoethoxy)ethoxy]hexane (PubChem CID 15752648) has the molecular formula C10H21BrO2 and a molecular weight of 253.18 g/mol. Its IUPAC name is 1-[2-(2-bromoethoxy)ethoxy]hexane.

Molecular Properties

Compound Name1-[2-(2-bromoethoxy)ethoxy]hexane
PubChem CID15752648
Molecular FormulaC10H21BrO2
Molecular Weight253.18 g/mol
Exact Mass252.07
IUPAC Name1-[2-(2-bromoethoxy)ethoxy]hexane
SMILESCCCCCCOCCOCCBr
InChIInChI=1S/C10H21BrO2/c1-2-3-4-5-7-12-9-10-13-8-6-11/h2-10H2,1H3
InChIKeyXKWCTSJLIHUEQR-UHFFFAOYSA-N
XLogP2.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 52.99
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 1-[2-(2-bromoethoxy)ethoxy]hexane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromoethoxy)ethoxy]hexane?
The IUPAC name of 1-[2-(2-bromoethoxy)ethoxy]hexane (CID 15752648) is 1-[2-(2-bromoethoxy)ethoxy]hexane.
What is the SMILES notation for 1-[2-(2-bromoethoxy)ethoxy]hexane?
The canonical SMILES for 1-[2-(2-bromoethoxy)ethoxy]hexane is CCCCCCOCCOCCBr.
What is the InChIKey of 1-[2-(2-bromoethoxy)ethoxy]hexane?
The InChIKey is XKWCTSJLIHUEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BrO2/c1-2-3-4-5-7-12-9-10-13-8-6-11/h2-10H2,1H3.
What are the key properties of 1-[2-(2-bromoethoxy)ethoxy]hexane?
1-[2-(2-bromoethoxy)ethoxy]hexane has a molecular weight of 253.18 g/mol, XLogP of 2.99, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromoethoxy)ethoxy]hexane is sourced from PubChem (CID 15752648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).