2-(1-bromo-2-methylpropan-2-yl)oxyethylcyclobutane

C10H19BrO — CID 106204818

IUPAC2-(1-bromo-2-methylpropan-2-yl)oxyethylcyclobutane
SMILESCC(C)(CBr)OCCC1CCC1
InChIInChI=1S/C10H19BrO/c1-10(2,8-11)12-7-6-9-4-3-5-9/h9H,3-8H2,1-2H3
InChIKeyXYOLFYZVEHHMCE-UHFFFAOYSA-N
MW235.16 g/mol
LogP3.37
Rot. Bonds5

About 2-(1-bromo-2-methylpropan-2-yl)oxyethylcyclobutane

2-(1-bromo-2-methylpropan-2-yl)oxyethylcyclobutane (PubChem CID 106204818) has the molecular formula C10H19BrO and a molecular weight of 235.16 g/mol. Its IUPAC name is 2-(1-bromo-2-methylpropan-2-yl)oxyethylcyclobutane.

Molecular Properties

Compound Name2-(1-bromo-2-methylpropan-2-yl)oxyethylcyclobutane
PubChem CID106204818
Molecular FormulaC10H19BrO
Molecular Weight235.16 g/mol
Exact Mass234.06
IUPAC Name2-(1-bromo-2-methylpropan-2-yl)oxyethylcyclobutane
SMILESCC(C)(CBr)OCCC1CCC1
InChIInChI=1S/C10H19BrO/c1-10(2,8-11)12-7-6-9-4-3-5-9/h9H,3-8H2,1-2H3
InChIKeyXYOLFYZVEHHMCE-UHFFFAOYSA-N
XLogP3.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2-bromoethoxy)-1-(1-bromo-2-methylpropan-2-yl)oxy-3-methylbutane
CID 138501579
4-[(1-bromo-2-methylpropan-2-yl)oxymethyl]oxane
CID 114774046
2-(3-bromo-2,2-dimethylpropoxy)ethylcyclopropane
CID 106201186
3-[2-(1-bromo-2-methylpropan-2-yl)oxyethoxy]oxolane
CID 165492982
1-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane
CID 112591267
2-[2-(2-methylbutan-2-yloxy)ethyl]-N-propylcyclopentan-1-amine
CID 79573262
methyl 2-(2-cyclobutylethoxy)acetate
CID 106199331
2-cyclobutylethoxy-tri(propan-2-yl)silane
CID 173117664
(1-bromo-3-chloro-2-methylpropan-2-yl)oxymethylcycloheptane
CID 165476800
(2S)-1-(2-cyclobutylethoxy)propan-2-ol
CID 106204019
2-(6-bromohexoxy)ethylcyclohexane
CID 19987546
1-(1-bromo-2-methylpropan-2-yl)oxyethylcyclohexane
CID 165489178

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromo-2-methylpropan-2-yl)oxyethylcyclobutane?
The IUPAC name of 2-(1-bromo-2-methylpropan-2-yl)oxyethylcyclobutane (CID 106204818) is 2-(1-bromo-2-methylpropan-2-yl)oxyethylcyclobutane.
What is the SMILES notation for 2-(1-bromo-2-methylpropan-2-yl)oxyethylcyclobutane?
The canonical SMILES for 2-(1-bromo-2-methylpropan-2-yl)oxyethylcyclobutane is CC(C)(CBr)OCCC1CCC1.
What is the InChIKey of 2-(1-bromo-2-methylpropan-2-yl)oxyethylcyclobutane?
The InChIKey is XYOLFYZVEHHMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrO/c1-10(2,8-11)12-7-6-9-4-3-5-9/h9H,3-8H2,1-2H3.
What are the key properties of 2-(1-bromo-2-methylpropan-2-yl)oxyethylcyclobutane?
2-(1-bromo-2-methylpropan-2-yl)oxyethylcyclobutane has a molecular weight of 235.16 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromo-2-methylpropan-2-yl)oxyethylcyclobutane is sourced from PubChem (CID 106204818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).