3-(2-bromoethoxy)-1-(1-bromo-2-methylpropan-2-yl)oxy-3-methylbutane

C11H22Br2O2 — CID 138501579

IUPAC3-(2-bromoethoxy)-1-(1-bromo-2-methylpropan-2-yl)oxy-3-methylbutane
SMILESCC(C)(CBr)OCCC(C)(C)OCCBr
InChIInChI=1S/C11H22Br2O2/c1-10(2,15-8-6-12)5-7-14-11(3,4)9-13/h5-9H2,1-4H3
InChIKeyMBSDEPZKJUIXQL-UHFFFAOYSA-N
MW346.10 g/mol
LogP3.76
Rot. Bonds8

About 3-(2-bromoethoxy)-1-(1-bromo-2-methylpropan-2-yl)oxy-3-methylbutane

3-(2-bromoethoxy)-1-(1-bromo-2-methylpropan-2-yl)oxy-3-methylbutane (PubChem CID 138501579) has the molecular formula C11H22Br2O2 and a molecular weight of 346.10 g/mol. Its IUPAC name is 3-(2-bromoethoxy)-1-(1-bromo-2-methylpropan-2-yl)oxy-3-methylbutane.

Molecular Properties

Compound Name3-(2-bromoethoxy)-1-(1-bromo-2-methylpropan-2-yl)oxy-3-methylbutane
PubChem CID138501579
Molecular FormulaC11H22Br2O2
Molecular Weight346.10 g/mol
Exact Mass344.00
IUPAC Name3-(2-bromoethoxy)-1-(1-bromo-2-methylpropan-2-yl)oxy-3-methylbutane
SMILESCC(C)(CBr)OCCC(C)(C)OCCBr
InChIInChI=1S/C11H22Br2O2/c1-10(2,15-8-6-12)5-7-14-11(3,4)9-13/h5-9H2,1-4H3
InChIKeyMBSDEPZKJUIXQL-UHFFFAOYSA-N
XLogP3.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.10
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-(2-bromoethoxy)-1-(1-bromo-2-methylpropan-2-yl)oxy-3-methylbutane?
The IUPAC name of 3-(2-bromoethoxy)-1-(1-bromo-2-methylpropan-2-yl)oxy-3-methylbutane (CID 138501579) is 3-(2-bromoethoxy)-1-(1-bromo-2-methylpropan-2-yl)oxy-3-methylbutane.
What is the SMILES notation for 3-(2-bromoethoxy)-1-(1-bromo-2-methylpropan-2-yl)oxy-3-methylbutane?
The canonical SMILES for 3-(2-bromoethoxy)-1-(1-bromo-2-methylpropan-2-yl)oxy-3-methylbutane is CC(C)(CBr)OCCC(C)(C)OCCBr.
What is the InChIKey of 3-(2-bromoethoxy)-1-(1-bromo-2-methylpropan-2-yl)oxy-3-methylbutane?
The InChIKey is MBSDEPZKJUIXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22Br2O2/c1-10(2,15-8-6-12)5-7-14-11(3,4)9-13/h5-9H2,1-4H3.
What are the key properties of 3-(2-bromoethoxy)-1-(1-bromo-2-methylpropan-2-yl)oxy-3-methylbutane?
3-(2-bromoethoxy)-1-(1-bromo-2-methylpropan-2-yl)oxy-3-methylbutane has a molecular weight of 346.10 g/mol, XLogP of 3.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoethoxy)-1-(1-bromo-2-methylpropan-2-yl)oxy-3-methylbutane is sourced from PubChem (CID 138501579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).