2-bromo-2,3-bis(2-methoxyethoxy)butane

C10H21BrO4 — CID 140513966

IUPAC2-bromo-2,3-bis(2-methoxyethoxy)butane
SMILESCOCCOC(C)C(C)(Br)OCCOC
InChIInChI=1S/C10H21BrO4/c1-9(14-7-5-12-3)10(2,11)15-8-6-13-4/h9H,5-8H2,1-4H3
InChIKeyDHNSXZUQQHUZHL-UHFFFAOYSA-N
MW285.18 g/mol
LogP1.81
Rot. Bonds9

About 2-bromo-2,3-bis(2-methoxyethoxy)butane

2-bromo-2,3-bis(2-methoxyethoxy)butane (PubChem CID 140513966) has the molecular formula C10H21BrO4 and a molecular weight of 285.18 g/mol. Its IUPAC name is 2-bromo-2,3-bis(2-methoxyethoxy)butane.

Molecular Properties

Compound Name2-bromo-2,3-bis(2-methoxyethoxy)butane
PubChem CID140513966
Molecular FormulaC10H21BrO4
Molecular Weight285.18 g/mol
Exact Mass284.06
IUPAC Name2-bromo-2,3-bis(2-methoxyethoxy)butane
SMILESCOCCOC(C)C(C)(Br)OCCOC
InChIInChI=1S/C10H21BrO4/c1-9(14-7-5-12-3)10(2,11)15-8-6-13-4/h9H,5-8H2,1-4H3
InChIKeyDHNSXZUQQHUZHL-UHFFFAOYSA-N
XLogP1.81
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-bromo-2,3-bis(2-methoxyethoxy)butane 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 2-bromo-2,3-bis(2-methoxyethoxy)butane?
The IUPAC name of 2-bromo-2,3-bis(2-methoxyethoxy)butane (CID 140513966) is 2-bromo-2,3-bis(2-methoxyethoxy)butane.
What is the SMILES notation for 2-bromo-2,3-bis(2-methoxyethoxy)butane?
The canonical SMILES for 2-bromo-2,3-bis(2-methoxyethoxy)butane is COCCOC(C)C(C)(Br)OCCOC.
What is the InChIKey of 2-bromo-2,3-bis(2-methoxyethoxy)butane?
The InChIKey is DHNSXZUQQHUZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BrO4/c1-9(14-7-5-12-3)10(2,11)15-8-6-13-4/h9H,5-8H2,1-4H3.
What are the key properties of 2-bromo-2,3-bis(2-methoxyethoxy)butane?
2-bromo-2,3-bis(2-methoxyethoxy)butane has a molecular weight of 285.18 g/mol, XLogP of 1.81, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2,3-bis(2-methoxyethoxy)butane is sourced from PubChem (CID 140513966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).