2-[2-[2-(2-bromo-2-methylpropanoyl)oxyethoxy]propan-2-yloxy]ethyl 2-bromo-2-methylpropanoate

C15H26Br2O6 — CID 102307437

IUPAC2-[2-[2-(2-bromo-2-methylpropanoyl)oxyethoxy]propan-2-yloxy]ethyl 2-bromo-2-methylpropanoate
SMILESCC(C)(OCCOC(=O)C(C)(C)Br)OCCOC(=O)C(C)(C)Br
InChIInChI=1S/C15H26Br2O6/c1-13(2,16)11(18)20-7-9-22-15(5,6)23-10-8-21-12(19)14(3,4)17/h7-10H2,1-6H3
InChIKeyADPABXAAMGHIDA-UHFFFAOYSA-N
MW462.18 g/mol
LogP3.19
Rot. Bonds10

About 2-[2-[2-(2-bromo-2-methylpropanoyl)oxyethoxy]propan-2-yloxy]ethyl 2-bromo-2-methylpropanoate

2-[2-[2-(2-bromo-2-methylpropanoyl)oxyethoxy]propan-2-yloxy]ethyl 2-bromo-2-methylpropanoate (PubChem CID 102307437) has the molecular formula C15H26Br2O6 and a molecular weight of 462.18 g/mol. Its IUPAC name is 2-[2-[2-(2-bromo-2-methylpropanoyl)oxyethoxy]propan-2-yloxy]ethyl 2-bromo-2-methylpropanoate.

Molecular Properties

Compound Name2-[2-[2-(2-bromo-2-methylpropanoyl)oxyethoxy]propan-2-yloxy]ethyl 2-bromo-2-methylpropanoate
PubChem CID102307437
Molecular FormulaC15H26Br2O6
Molecular Weight462.18 g/mol
Exact Mass460.01
IUPAC Name2-[2-[2-(2-bromo-2-methylpropanoyl)oxyethoxy]propan-2-yloxy]ethyl 2-bromo-2-methylpropanoate
SMILESCC(C)(OCCOC(=O)C(C)(C)Br)OCCOC(=O)C(C)(C)Br
InChIInChI=1S/C15H26Br2O6/c1-13(2,16)11(18)20-7-9-22-15(5,6)23-10-8-21-12(19)14(3,4)17/h7-10H2,1-6H3
InChIKeyADPABXAAMGHIDA-UHFFFAOYSA-N
XLogP3.19
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.18
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[2-[2-(2-bromo-2-methylpropanoyl)oxyethoxy]propan-2-yloxy]ethyl 2-bromo-2-methylpropanoate?
The IUPAC name of 2-[2-[2-(2-bromo-2-methylpropanoyl)oxyethoxy]propan-2-yloxy]ethyl 2-bromo-2-methylpropanoate (CID 102307437) is 2-[2-[2-(2-bromo-2-methylpropanoyl)oxyethoxy]propan-2-yloxy]ethyl 2-bromo-2-methylpropanoate.
What is the SMILES notation for 2-[2-[2-(2-bromo-2-methylpropanoyl)oxyethoxy]propan-2-yloxy]ethyl 2-bromo-2-methylpropanoate?
The canonical SMILES for 2-[2-[2-(2-bromo-2-methylpropanoyl)oxyethoxy]propan-2-yloxy]ethyl 2-bromo-2-methylpropanoate is CC(C)(OCCOC(=O)C(C)(C)Br)OCCOC(=O)C(C)(C)Br.
What is the InChIKey of 2-[2-[2-(2-bromo-2-methylpropanoyl)oxyethoxy]propan-2-yloxy]ethyl 2-bromo-2-methylpropanoate?
The InChIKey is ADPABXAAMGHIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26Br2O6/c1-13(2,16)11(18)20-7-9-22-15(5,6)23-10-8-21-12(19)14(3,4)17/h7-10H2,1-6H3.
What are the key properties of 2-[2-[2-(2-bromo-2-methylpropanoyl)oxyethoxy]propan-2-yloxy]ethyl 2-bromo-2-methylpropanoate?
2-[2-[2-(2-bromo-2-methylpropanoyl)oxyethoxy]propan-2-yloxy]ethyl 2-bromo-2-methylpropanoate has a molecular weight of 462.18 g/mol, XLogP of 3.19, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-bromo-2-methylpropanoyl)oxyethoxy]propan-2-yloxy]ethyl 2-bromo-2-methylpropanoate is sourced from PubChem (CID 102307437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).