2-bromo-4-[2-(2-methoxyethoxy)ethoxy]-1,1-dimethylcyclobutane

C11H21BrO3 — CID 104567999

IUPAC2-bromo-4-[2-(2-methoxyethoxy)ethoxy]-1,1-dimethylcyclobutane
SMILESCOCCOCCOC1CC(Br)C1(C)C
InChIInChI=1S/C11H21BrO3/c1-11(2)9(12)8-10(11)15-7-6-14-5-4-13-3/h9-10H,4-8H2,1-3H3
InChIKeyDIUXIWBNKWTAJW-UHFFFAOYSA-N
MW281.19 g/mol
LogP2.23
Rot. Bonds7

About 2-bromo-4-[2-(2-methoxyethoxy)ethoxy]-1,1-dimethylcyclobutane

2-bromo-4-[2-(2-methoxyethoxy)ethoxy]-1,1-dimethylcyclobutane (PubChem CID 104567999) has the molecular formula C11H21BrO3 and a molecular weight of 281.19 g/mol. Its IUPAC name is 2-bromo-4-[2-(2-methoxyethoxy)ethoxy]-1,1-dimethylcyclobutane.

Molecular Properties

Compound Name2-bromo-4-[2-(2-methoxyethoxy)ethoxy]-1,1-dimethylcyclobutane
PubChem CID104567999
Molecular FormulaC11H21BrO3
Molecular Weight281.19 g/mol
Exact Mass280.07
IUPAC Name2-bromo-4-[2-(2-methoxyethoxy)ethoxy]-1,1-dimethylcyclobutane
SMILESCOCCOCCOC1CC(Br)C1(C)C
InChIInChI=1S/C11H21BrO3/c1-11(2)9(12)8-10(11)15-7-6-14-5-4-13-3/h9-10H,4-8H2,1-3H3
InChIKeyDIUXIWBNKWTAJW-UHFFFAOYSA-N
XLogP2.23
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 52.23
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 2-bromo-4-[2-(2-methoxyethoxy)ethoxy]-1,1-dimethylcyclobutane?
The IUPAC name of 2-bromo-4-[2-(2-methoxyethoxy)ethoxy]-1,1-dimethylcyclobutane (CID 104567999) is 2-bromo-4-[2-(2-methoxyethoxy)ethoxy]-1,1-dimethylcyclobutane.
What is the SMILES notation for 2-bromo-4-[2-(2-methoxyethoxy)ethoxy]-1,1-dimethylcyclobutane?
The canonical SMILES for 2-bromo-4-[2-(2-methoxyethoxy)ethoxy]-1,1-dimethylcyclobutane is COCCOCCOC1CC(Br)C1(C)C.
What is the InChIKey of 2-bromo-4-[2-(2-methoxyethoxy)ethoxy]-1,1-dimethylcyclobutane?
The InChIKey is DIUXIWBNKWTAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrO3/c1-11(2)9(12)8-10(11)15-7-6-14-5-4-13-3/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-bromo-4-[2-(2-methoxyethoxy)ethoxy]-1,1-dimethylcyclobutane?
2-bromo-4-[2-(2-methoxyethoxy)ethoxy]-1,1-dimethylcyclobutane has a molecular weight of 281.19 g/mol, XLogP of 2.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[2-(2-methoxyethoxy)ethoxy]-1,1-dimethylcyclobutane is sourced from PubChem (CID 104567999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).