1-(bromomethyl)-1-(butan-2-yloxymethyl)cyclopentane

C11H21BrO — CID 65001036

IUPAC1-(bromomethyl)-1-(butan-2-yloxymethyl)cyclopentane
SMILESCCC(C)OCC1(CBr)CCCC1
InChIInChI=1S/C11H21BrO/c1-3-10(2)13-9-11(8-12)6-4-5-7-11/h10H,3-9H2,1-2H3
InChIKeyTZVMTCCVGDYODR-UHFFFAOYSA-N
MW249.19 g/mol
LogP3.76
Rot. Bonds5

About 1-(bromomethyl)-1-(butan-2-yloxymethyl)cyclopentane

1-(bromomethyl)-1-(butan-2-yloxymethyl)cyclopentane (PubChem CID 65001036) has the molecular formula C11H21BrO and a molecular weight of 249.19 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(butan-2-yloxymethyl)cyclopentane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(butan-2-yloxymethyl)cyclopentane
PubChem CID65001036
Molecular FormulaC11H21BrO
Molecular Weight249.19 g/mol
Exact Mass248.08
IUPAC Name1-(bromomethyl)-1-(butan-2-yloxymethyl)cyclopentane
SMILESCCC(C)OCC1(CBr)CCCC1
InChIInChI=1S/C11H21BrO/c1-3-10(2)13-9-11(8-12)6-4-5-7-11/h10H,3-9H2,1-2H3
InChIKeyTZVMTCCVGDYODR-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
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-(bromomethyl)-1-(butan-2-yloxymethyl)cyclopentane?
The IUPAC name of 1-(bromomethyl)-1-(butan-2-yloxymethyl)cyclopentane (CID 65001036) is 1-(bromomethyl)-1-(butan-2-yloxymethyl)cyclopentane.
What is the SMILES notation for 1-(bromomethyl)-1-(butan-2-yloxymethyl)cyclopentane?
The canonical SMILES for 1-(bromomethyl)-1-(butan-2-yloxymethyl)cyclopentane is CCC(C)OCC1(CBr)CCCC1.
What is the InChIKey of 1-(bromomethyl)-1-(butan-2-yloxymethyl)cyclopentane?
The InChIKey is TZVMTCCVGDYODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrO/c1-3-10(2)13-9-11(8-12)6-4-5-7-11/h10H,3-9H2,1-2H3.
What are the key properties of 1-(bromomethyl)-1-(butan-2-yloxymethyl)cyclopentane?
1-(bromomethyl)-1-(butan-2-yloxymethyl)cyclopentane has a molecular weight of 249.19 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(butan-2-yloxymethyl)cyclopentane is sourced from PubChem (CID 65001036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).