2-bromo-1-[2-(2-ethenoxypropan-2-yloxy)propan-2-yloxy]propane

C11H21BrO3 — CID 139925945

IUPAC2-bromo-1-[2-(2-ethenoxypropan-2-yloxy)propan-2-yloxy]propane
SMILESC=COC(C)(C)OC(C)(C)OCC(C)Br
InChIInChI=1S/C11H21BrO3/c1-7-13-10(3,4)15-11(5,6)14-8-9(2)12/h7,9H,1,8H2,2-6H3
InChIKeyPOSNUFQOYQWMIX-UHFFFAOYSA-N
MW281.19 g/mol
LogP3.44
Rot. Bonds7

About 2-bromo-1-[2-(2-ethenoxypropan-2-yloxy)propan-2-yloxy]propane

2-bromo-1-[2-(2-ethenoxypropan-2-yloxy)propan-2-yloxy]propane (PubChem CID 139925945) has the molecular formula C11H21BrO3 and a molecular weight of 281.19 g/mol. Its IUPAC name is 2-bromo-1-[2-(2-ethenoxypropan-2-yloxy)propan-2-yloxy]propane.

Molecular Properties

Compound Name2-bromo-1-[2-(2-ethenoxypropan-2-yloxy)propan-2-yloxy]propane
PubChem CID139925945
Molecular FormulaC11H21BrO3
Molecular Weight281.19 g/mol
Exact Mass280.07
IUPAC Name2-bromo-1-[2-(2-ethenoxypropan-2-yloxy)propan-2-yloxy]propane
SMILESC=COC(C)(C)OC(C)(C)OCC(C)Br
InChIInChI=1S/C11H21BrO3/c1-7-13-10(3,4)15-11(5,6)14-8-9(2)12/h7,9H,1,8H2,2-6H3
InChIKeyPOSNUFQOYQWMIX-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[2-(2-ethenoxypropan-2-yloxy)propan-2-yloxy]propane?
The IUPAC name of 2-bromo-1-[2-(2-ethenoxypropan-2-yloxy)propan-2-yloxy]propane (CID 139925945) is 2-bromo-1-[2-(2-ethenoxypropan-2-yloxy)propan-2-yloxy]propane.
What is the SMILES notation for 2-bromo-1-[2-(2-ethenoxypropan-2-yloxy)propan-2-yloxy]propane?
The canonical SMILES for 2-bromo-1-[2-(2-ethenoxypropan-2-yloxy)propan-2-yloxy]propane is C=COC(C)(C)OC(C)(C)OCC(C)Br.
What is the InChIKey of 2-bromo-1-[2-(2-ethenoxypropan-2-yloxy)propan-2-yloxy]propane?
The InChIKey is POSNUFQOYQWMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrO3/c1-7-13-10(3,4)15-11(5,6)14-8-9(2)12/h7,9H,1,8H2,2-6H3.
What are the key properties of 2-bromo-1-[2-(2-ethenoxypropan-2-yloxy)propan-2-yloxy]propane?
2-bromo-1-[2-(2-ethenoxypropan-2-yloxy)propan-2-yloxy]propane has a molecular weight of 281.19 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[2-(2-ethenoxypropan-2-yloxy)propan-2-yloxy]propane is sourced from PubChem (CID 139925945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).