1-bromo-3-(2-methylbutan-2-yloxy)cyclobutane

C9H17BrO — CID 66345753

IUPAC1-bromo-3-(2-methylbutan-2-yloxy)cyclobutane
SMILESCCC(C)(C)OC1CC(Br)C1
InChIInChI=1S/C9H17BrO/c1-4-9(2,3)11-8-5-7(10)6-8/h7-8H,4-6H2,1-3H3
InChIKeyNQUMTELGFHYTEG-UHFFFAOYSA-N
MW221.14 g/mol
LogP3.12
Rot. Bonds3

About 1-bromo-3-(2-methylbutan-2-yloxy)cyclobutane

1-bromo-3-(2-methylbutan-2-yloxy)cyclobutane (PubChem CID 66345753) has the molecular formula C9H17BrO and a molecular weight of 221.14 g/mol. Its IUPAC name is 1-bromo-3-(2-methylbutan-2-yloxy)cyclobutane.

Molecular Properties

Compound Name1-bromo-3-(2-methylbutan-2-yloxy)cyclobutane
PubChem CID66345753
Molecular FormulaC9H17BrO
Molecular Weight221.14 g/mol
Exact Mass220.05
IUPAC Name1-bromo-3-(2-methylbutan-2-yloxy)cyclobutane
SMILESCCC(C)(C)OC1CC(Br)C1
InChIInChI=1S/C9H17BrO/c1-4-9(2,3)11-8-5-7(10)6-8/h7-8H,4-6H2,1-3H3
InChIKeyNQUMTELGFHYTEG-UHFFFAOYSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 53.12
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 1-bromo-3-(2-methylbutan-2-yloxy)cyclobutane?
The IUPAC name of 1-bromo-3-(2-methylbutan-2-yloxy)cyclobutane (CID 66345753) is 1-bromo-3-(2-methylbutan-2-yloxy)cyclobutane.
What is the SMILES notation for 1-bromo-3-(2-methylbutan-2-yloxy)cyclobutane?
The canonical SMILES for 1-bromo-3-(2-methylbutan-2-yloxy)cyclobutane is CCC(C)(C)OC1CC(Br)C1.
What is the InChIKey of 1-bromo-3-(2-methylbutan-2-yloxy)cyclobutane?
The InChIKey is NQUMTELGFHYTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BrO/c1-4-9(2,3)11-8-5-7(10)6-8/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-bromo-3-(2-methylbutan-2-yloxy)cyclobutane?
1-bromo-3-(2-methylbutan-2-yloxy)cyclobutane has a molecular weight of 221.14 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(2-methylbutan-2-yloxy)cyclobutane is sourced from PubChem (CID 66345753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).