3-(5-bromo-3-methylpentyl)-2,2-dimethyloxirane

C10H19BrO — CID 15502784

IUPAC3-(5-bromo-3-methylpentyl)-2,2-dimethyloxirane
SMILESCC(CCBr)CCC1OC1(C)C
InChIInChI=1S/C10H19BrO/c1-8(6-7-11)4-5-9-10(2,3)12-9/h8-9H,4-7H2,1-3H3
InChIKeyVWDSRYUYBLVEFZ-UHFFFAOYSA-N
MW235.16 g/mol
LogP3.37
Rot. Bonds5

About 3-(5-bromo-3-methylpentyl)-2,2-dimethyloxirane

3-(5-bromo-3-methylpentyl)-2,2-dimethyloxirane (PubChem CID 15502784) has the molecular formula C10H19BrO and a molecular weight of 235.16 g/mol. Its IUPAC name is 3-(5-bromo-3-methylpentyl)-2,2-dimethyloxirane.

Molecular Properties

Compound Name3-(5-bromo-3-methylpentyl)-2,2-dimethyloxirane
PubChem CID15502784
Molecular FormulaC10H19BrO
Molecular Weight235.16 g/mol
Exact Mass234.06
IUPAC Name3-(5-bromo-3-methylpentyl)-2,2-dimethyloxirane
SMILESCC(CCBr)CCC1OC1(C)C
InChIInChI=1S/C10H19BrO/c1-8(6-7-11)4-5-9-10(2,3)12-9/h8-9H,4-7H2,1-3H3
InChIKeyVWDSRYUYBLVEFZ-UHFFFAOYSA-N
XLogP3.37
TPSA12.53 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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3-methylpentyl)-2,2-dimethyloxirane?
The IUPAC name of 3-(5-bromo-3-methylpentyl)-2,2-dimethyloxirane (CID 15502784) is 3-(5-bromo-3-methylpentyl)-2,2-dimethyloxirane.
What is the SMILES notation for 3-(5-bromo-3-methylpentyl)-2,2-dimethyloxirane?
The canonical SMILES for 3-(5-bromo-3-methylpentyl)-2,2-dimethyloxirane is CC(CCBr)CCC1OC1(C)C.
What is the InChIKey of 3-(5-bromo-3-methylpentyl)-2,2-dimethyloxirane?
The InChIKey is VWDSRYUYBLVEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrO/c1-8(6-7-11)4-5-9-10(2,3)12-9/h8-9H,4-7H2,1-3H3.
What are the key properties of 3-(5-bromo-3-methylpentyl)-2,2-dimethyloxirane?
3-(5-bromo-3-methylpentyl)-2,2-dimethyloxirane 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 3-(5-bromo-3-methylpentyl)-2,2-dimethyloxirane is sourced from PubChem (CID 15502784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).