4-bromo-2-methyl-3-(3-methylbutyl)oxolane

C10H19BrO — CID 164656717

IUPAC4-bromo-2-methyl-3-(3-methylbutyl)oxolane
SMILESCC(C)CCC1C(Br)COC1C
InChIInChI=1S/C10H19BrO/c1-7(2)4-5-9-8(3)12-6-10(9)11/h7-10H,4-6H2,1-3H3
InChIKeyFLQQXVZXFFTKCT-UHFFFAOYSA-N
MW235.16 g/mol
LogP3.22
Rot. Bonds3

About 4-bromo-2-methyl-3-(3-methylbutyl)oxolane

4-bromo-2-methyl-3-(3-methylbutyl)oxolane (PubChem CID 164656717) has the molecular formula C10H19BrO and a molecular weight of 235.16 g/mol. Its IUPAC name is 4-bromo-2-methyl-3-(3-methylbutyl)oxolane.

Molecular Properties

Compound Name4-bromo-2-methyl-3-(3-methylbutyl)oxolane
PubChem CID164656717
Molecular FormulaC10H19BrO
Molecular Weight235.16 g/mol
Exact Mass234.06
IUPAC Name4-bromo-2-methyl-3-(3-methylbutyl)oxolane
SMILESCC(C)CCC1C(Br)COC1C
InChIInChI=1S/C10H19BrO/c1-7(2)4-5-9-8(3)12-6-10(9)11/h7-10H,4-6H2,1-3H3
InChIKeyFLQQXVZXFFTKCT-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 53.22
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 4-bromo-2-methyl-3-(3-methylbutyl)oxolane?
The IUPAC name of 4-bromo-2-methyl-3-(3-methylbutyl)oxolane (CID 164656717) is 4-bromo-2-methyl-3-(3-methylbutyl)oxolane.
What is the SMILES notation for 4-bromo-2-methyl-3-(3-methylbutyl)oxolane?
The canonical SMILES for 4-bromo-2-methyl-3-(3-methylbutyl)oxolane is CC(C)CCC1C(Br)COC1C.
What is the InChIKey of 4-bromo-2-methyl-3-(3-methylbutyl)oxolane?
The InChIKey is FLQQXVZXFFTKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrO/c1-7(2)4-5-9-8(3)12-6-10(9)11/h7-10H,4-6H2,1-3H3.
What are the key properties of 4-bromo-2-methyl-3-(3-methylbutyl)oxolane?
4-bromo-2-methyl-3-(3-methylbutyl)oxolane has a molecular weight of 235.16 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-3-(3-methylbutyl)oxolane is sourced from PubChem (CID 164656717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).