bromoethane;methoxymethane

C4H11BrO — CID 163622396

IUPACbromoethane;methoxymethane
SMILESCCBr.COC
InChIInChI=1S/C2H5Br.C2H6O/c1-2-3;1-3-2/h2H2,1H3;1-2H3
InChIKeyHPFPWAKLLSJLOX-UHFFFAOYSA-N
MW155.03 g/mol
LogP1.66
Rot. Bonds

About bromoethane;methoxymethane

bromoethane;methoxymethane (PubChem CID 163622396) has the molecular formula C4H11BrO and a molecular weight of 155.03 g/mol. Its IUPAC name is bromoethane;methoxymethane.

Molecular Properties

Compound Namebromoethane;methoxymethane
PubChem CID163622396
Molecular FormulaC4H11BrO
Molecular Weight155.03 g/mol
Exact Mass154.00
IUPAC Namebromoethane;methoxymethane
SMILESCCBr.COC
InChIInChI=1S/C2H5Br.C2H6O/c1-2-3;1-3-2/h2H2,1H3;1-2H3
InChIKeyHPFPWAKLLSJLOX-UHFFFAOYSA-N
XLogP1.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.03
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bromoethane;methoxymethane?
The IUPAC name of bromoethane;methoxymethane (CID 163622396) is bromoethane;methoxymethane.
What is the SMILES notation for bromoethane;methoxymethane?
The canonical SMILES for bromoethane;methoxymethane is CCBr.COC.
What is the InChIKey of bromoethane;methoxymethane?
The InChIKey is HPFPWAKLLSJLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5Br.C2H6O/c1-2-3;1-3-2/h2H2,1H3;1-2H3.
What are the key properties of bromoethane;methoxymethane?
bromoethane;methoxymethane has a molecular weight of 155.03 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromoethane;methoxymethane is sourced from PubChem (CID 163622396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).