2-bromo-1-ethoxy-2-methylpropane

C6H13BrO — CID 91419243

IUPAC2-bromo-1-ethoxy-2-methylpropane
SMILESCCOCC(C)(C)Br
InChIInChI=1S/C6H13BrO/c1-4-8-5-6(2,3)7/h4-5H2,1-3H3
InChIKeyPPSOYYLUUVTTDX-UHFFFAOYSA-N
MW181.07 g/mol
LogP2.20
Rot. Bonds3

About 2-bromo-1-ethoxy-2-methylpropane

2-bromo-1-ethoxy-2-methylpropane (PubChem CID 91419243) has the molecular formula C6H13BrO and a molecular weight of 181.07 g/mol. Its IUPAC name is 2-bromo-1-ethoxy-2-methylpropane.

Molecular Properties

Compound Name2-bromo-1-ethoxy-2-methylpropane
PubChem CID91419243
Molecular FormulaC6H13BrO
Molecular Weight181.07 g/mol
Exact Mass180.01
IUPAC Name2-bromo-1-ethoxy-2-methylpropane
SMILESCCOCC(C)(C)Br
InChIInChI=1S/C6H13BrO/c1-4-8-5-6(2,3)7/h4-5H2,1-3H3
InChIKeyPPSOYYLUUVTTDX-UHFFFAOYSA-N
XLogP2.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.07
LogP ≤ 52.20
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 2-bromo-1-ethoxy-2-methylpropane?
The IUPAC name of 2-bromo-1-ethoxy-2-methylpropane (CID 91419243) is 2-bromo-1-ethoxy-2-methylpropane.
What is the SMILES notation for 2-bromo-1-ethoxy-2-methylpropane?
The canonical SMILES for 2-bromo-1-ethoxy-2-methylpropane is CCOCC(C)(C)Br.
What is the InChIKey of 2-bromo-1-ethoxy-2-methylpropane?
The InChIKey is PPSOYYLUUVTTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13BrO/c1-4-8-5-6(2,3)7/h4-5H2,1-3H3.
What are the key properties of 2-bromo-1-ethoxy-2-methylpropane?
2-bromo-1-ethoxy-2-methylpropane has a molecular weight of 181.07 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-ethoxy-2-methylpropane is sourced from PubChem (CID 91419243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).