2-(4-bromo-2,3-dimethylbutoxy)oxane

C11H21BrO2 — CID 14731941

IUPAC2-(4-bromo-2,3-dimethylbutoxy)oxane
SMILESCC(CBr)C(C)COC1CCCCO1
InChIInChI=1S/C11H21BrO2/c1-9(7-12)10(2)8-14-11-5-3-4-6-13-11/h9-11H,3-8H2,1-2H3
InChIKeyMAXSRMNISOJNAS-UHFFFAOYSA-N
MW265.19 g/mol
LogP3.20
Rot. Bonds5

About 2-(4-bromo-2,3-dimethylbutoxy)oxane

2-(4-bromo-2,3-dimethylbutoxy)oxane (PubChem CID 14731941) has the molecular formula C11H21BrO2 and a molecular weight of 265.19 g/mol. Its IUPAC name is 2-(4-bromo-2,3-dimethylbutoxy)oxane.

Molecular Properties

Compound Name2-(4-bromo-2,3-dimethylbutoxy)oxane
PubChem CID14731941
Molecular FormulaC11H21BrO2
Molecular Weight265.19 g/mol
Exact Mass264.07
IUPAC Name2-(4-bromo-2,3-dimethylbutoxy)oxane
SMILESCC(CBr)C(C)COC1CCCCO1
InChIInChI=1S/C11H21BrO2/c1-9(7-12)10(2)8-14-11-5-3-4-6-13-11/h9-11H,3-8H2,1-2H3
InChIKeyMAXSRMNISOJNAS-UHFFFAOYSA-N
XLogP3.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3,3-trimethylbutoxy)oxane
CID 145356481
2-(2-methylpent-4-ynoxy)oxane
CID 143125735
2-[(2R)-2-methylpentoxy]oxane
CID 57327472
2-[(2R)-4-iodo-2-methylbutoxy]oxane
CID 11779415
hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne;2-(2-methylpropoxy)oxane
CID 159580205
1-(oxolan-2-yloxy)propan-2-ol
CID 172822303
2-(2-propylpentoxy)oxane
CID 175998246
2-[(E,2R)-4-iodo-2-methylpent-3-enoxy]oxane
CID 10870601
methyl (2S)-2-methyl-3-(oxan-2-yloxy)propanoate
CID 11195022
methyl (2R)-2-methyl-3-[(2R)-oxan-2-yl]oxypropanoate
CID 92975409
3-methyl-4-(oxan-2-yloxy)butanal
CID 58732523
2,6-dimethyl-7-(oxan-2-yloxy)heptan-1-ol
CID 85158047

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,3-dimethylbutoxy)oxane?
The IUPAC name of 2-(4-bromo-2,3-dimethylbutoxy)oxane (CID 14731941) is 2-(4-bromo-2,3-dimethylbutoxy)oxane.
What is the SMILES notation for 2-(4-bromo-2,3-dimethylbutoxy)oxane?
The canonical SMILES for 2-(4-bromo-2,3-dimethylbutoxy)oxane is CC(CBr)C(C)COC1CCCCO1.
What is the InChIKey of 2-(4-bromo-2,3-dimethylbutoxy)oxane?
The InChIKey is MAXSRMNISOJNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrO2/c1-9(7-12)10(2)8-14-11-5-3-4-6-13-11/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-(4-bromo-2,3-dimethylbutoxy)oxane?
2-(4-bromo-2,3-dimethylbutoxy)oxane has a molecular weight of 265.19 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,3-dimethylbutoxy)oxane is sourced from PubChem (CID 14731941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).