2-bromoethoxy-methoxy-methylborane

C4H10BBrO2 — CID 125471518

IUPAC2-bromoethoxy-methoxy-methylborane
SMILESCOB(C)OCCBr
InChIInChI=1S/C4H10BBrO2/c1-5(7-2)8-4-3-6/h3-4H2,1-2H3
InChIKeyGBMFRWDLBKHBTP-UHFFFAOYSA-N
MW180.84 g/mol
LogP1.16
Rot. Bonds4

About 2-bromoethoxy-methoxy-methylborane

2-bromoethoxy-methoxy-methylborane (PubChem CID 125471518) has the molecular formula C4H10BBrO2 and a molecular weight of 180.84 g/mol. Its IUPAC name is 2-bromoethoxy-methoxy-methylborane.

Molecular Properties

Compound Name2-bromoethoxy-methoxy-methylborane
PubChem CID125471518
Molecular FormulaC4H10BBrO2
Molecular Weight180.84 g/mol
Exact Mass180.00
IUPAC Name2-bromoethoxy-methoxy-methylborane
SMILESCOB(C)OCCBr
InChIInChI=1S/C4H10BBrO2/c1-5(7-2)8-4-3-6/h3-4H2,1-2H3
InChIKeyGBMFRWDLBKHBTP-UHFFFAOYSA-N
XLogP1.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.84
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromoethoxy-methoxy-methylborane?
The IUPAC name of 2-bromoethoxy-methoxy-methylborane (CID 125471518) is 2-bromoethoxy-methoxy-methylborane.
What is the SMILES notation for 2-bromoethoxy-methoxy-methylborane?
The canonical SMILES for 2-bromoethoxy-methoxy-methylborane is COB(C)OCCBr.
What is the InChIKey of 2-bromoethoxy-methoxy-methylborane?
The InChIKey is GBMFRWDLBKHBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10BBrO2/c1-5(7-2)8-4-3-6/h3-4H2,1-2H3.
What are the key properties of 2-bromoethoxy-methoxy-methylborane?
2-bromoethoxy-methoxy-methylborane has a molecular weight of 180.84 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoethoxy-methoxy-methylborane is sourced from PubChem (CID 125471518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).