3-(bromomethyl)-3-(4-methylpentyl)oxolane

C11H21BrO — CID 83169759

IUPAC3-(bromomethyl)-3-(4-methylpentyl)oxolane
SMILESCC(C)CCCC1(CBr)CCOC1
InChIInChI=1S/C11H21BrO/c1-10(2)4-3-5-11(8-12)6-7-13-9-11/h10H,3-9H2,1-2H3
InChIKeyYOKNLLCFXIFFEC-UHFFFAOYSA-N
MW249.19 g/mol
LogP3.61
Rot. Bonds5

About 3-(bromomethyl)-3-(4-methylpentyl)oxolane

3-(bromomethyl)-3-(4-methylpentyl)oxolane (PubChem CID 83169759) has the molecular formula C11H21BrO and a molecular weight of 249.19 g/mol. Its IUPAC name is 3-(bromomethyl)-3-(4-methylpentyl)oxolane.

Molecular Properties

Compound Name3-(bromomethyl)-3-(4-methylpentyl)oxolane
PubChem CID83169759
Molecular FormulaC11H21BrO
Molecular Weight249.19 g/mol
Exact Mass248.08
IUPAC Name3-(bromomethyl)-3-(4-methylpentyl)oxolane
SMILESCC(C)CCCC1(CBr)CCOC1
InChIInChI=1S/C11H21BrO/c1-10(2)4-3-5-11(8-12)6-7-13-9-11/h10H,3-9H2,1-2H3
InChIKeyYOKNLLCFXIFFEC-UHFFFAOYSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 53.61
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

4-(bromomethyl)-4-(4-methylpentyl)oxane
CID 83168882
N-[[3-(4-methylpentyl)oxolan-3-yl]methyl]cyclopropanamine
CID 83167933
3-(bromomethyl)-3-nonyloxolane
CID 66050745
3-(bromomethyl)-3-(2-methylsulfinylethyl)oxolane
CID 165442456
4-(bromomethyl)-4-butyloxane
CID 66048650
4-(bromomethyl)-4-(3-methylbutoxymethyl)oxane
CID 65004529
3-(bromomethyl)-3-hexyloxane
CID 66041468
3-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(3-methylbutyl)butan-1-amine
CID 107871141
3-(bromomethyl)-3-(2,2-difluoroethyl)oxolane
CID 165446302
3-(bromomethyl)-3-(3-ethylsulfonylpropyl)oxane
CID 66043475
N-methyl-1-[4-(3-methylbutyl)oxan-4-yl]methanamine
CID 62905014
4-(bromomethyl)-4-(2-methylpentyl)oxane
CID 66049300

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-3-(4-methylpentyl)oxolane?
The IUPAC name of 3-(bromomethyl)-3-(4-methylpentyl)oxolane (CID 83169759) is 3-(bromomethyl)-3-(4-methylpentyl)oxolane.
What is the SMILES notation for 3-(bromomethyl)-3-(4-methylpentyl)oxolane?
The canonical SMILES for 3-(bromomethyl)-3-(4-methylpentyl)oxolane is CC(C)CCCC1(CBr)CCOC1.
What is the InChIKey of 3-(bromomethyl)-3-(4-methylpentyl)oxolane?
The InChIKey is YOKNLLCFXIFFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrO/c1-10(2)4-3-5-11(8-12)6-7-13-9-11/h10H,3-9H2,1-2H3.
What are the key properties of 3-(bromomethyl)-3-(4-methylpentyl)oxolane?
3-(bromomethyl)-3-(4-methylpentyl)oxolane has a molecular weight of 249.19 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-3-(4-methylpentyl)oxolane is sourced from PubChem (CID 83169759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).