1-(bromomethoxy)-2-[2-(bromomethoxy)ethoxy]ethane

C6H12Br2O3 — CID 141442958

IUPAC1-(bromomethoxy)-2-[2-(bromomethoxy)ethoxy]ethane
SMILESBrCOCCOCCOCBr
InChIInChI=1S/C6H12Br2O3/c7-5-10-3-1-9-2-4-11-6-8/h1-6H2
InChIKeyPHJRLDYKOAPMJW-UHFFFAOYSA-N
MW291.97 g/mol
LogP1.74
Rot. Bonds8

About 1-(bromomethoxy)-2-[2-(bromomethoxy)ethoxy]ethane

1-(bromomethoxy)-2-[2-(bromomethoxy)ethoxy]ethane (PubChem CID 141442958) has the molecular formula C6H12Br2O3 and a molecular weight of 291.97 g/mol. Its IUPAC name is 1-(bromomethoxy)-2-[2-(bromomethoxy)ethoxy]ethane.

Molecular Properties

Compound Name1-(bromomethoxy)-2-[2-(bromomethoxy)ethoxy]ethane
PubChem CID141442958
Molecular FormulaC6H12Br2O3
Molecular Weight291.97 g/mol
Exact Mass289.92
IUPAC Name1-(bromomethoxy)-2-[2-(bromomethoxy)ethoxy]ethane
SMILESBrCOCCOCCOCBr
InChIInChI=1S/C6H12Br2O3/c7-5-10-3-1-9-2-4-11-6-8/h1-6H2
InChIKeyPHJRLDYKOAPMJW-UHFFFAOYSA-N
XLogP1.74
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.97
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(bromomethoxy)-2-[2-(bromomethoxy)ethoxy]ethane?
The IUPAC name of 1-(bromomethoxy)-2-[2-(bromomethoxy)ethoxy]ethane (CID 141442958) is 1-(bromomethoxy)-2-[2-(bromomethoxy)ethoxy]ethane.
What is the SMILES notation for 1-(bromomethoxy)-2-[2-(bromomethoxy)ethoxy]ethane?
The canonical SMILES for 1-(bromomethoxy)-2-[2-(bromomethoxy)ethoxy]ethane is BrCOCCOCCOCBr.
What is the InChIKey of 1-(bromomethoxy)-2-[2-(bromomethoxy)ethoxy]ethane?
The InChIKey is PHJRLDYKOAPMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Br2O3/c7-5-10-3-1-9-2-4-11-6-8/h1-6H2.
What are the key properties of 1-(bromomethoxy)-2-[2-(bromomethoxy)ethoxy]ethane?
1-(bromomethoxy)-2-[2-(bromomethoxy)ethoxy]ethane has a molecular weight of 291.97 g/mol, XLogP of 1.74, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethoxy)-2-[2-(bromomethoxy)ethoxy]ethane is sourced from PubChem (CID 141442958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).