1-(bromomethyl)-1-(4-methylpentan-2-yloxymethyl)cyclopropane

C11H21BrO — CID 65008912

IUPAC1-(bromomethyl)-1-(4-methylpentan-2-yloxymethyl)cyclopropane
SMILESCC(C)CC(C)OCC1(CBr)CC1
InChIInChI=1S/C11H21BrO/c1-9(2)6-10(3)13-8-11(7-12)4-5-11/h9-10H,4-8H2,1-3H3
InChIKeyMJGQLTKNQILAFD-UHFFFAOYSA-N
MW249.19 g/mol
LogP3.61
Rot. Bonds6

About 1-(bromomethyl)-1-(4-methylpentan-2-yloxymethyl)cyclopropane

1-(bromomethyl)-1-(4-methylpentan-2-yloxymethyl)cyclopropane (PubChem CID 65008912) has the molecular formula C11H21BrO and a molecular weight of 249.19 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(4-methylpentan-2-yloxymethyl)cyclopropane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(4-methylpentan-2-yloxymethyl)cyclopropane
PubChem CID65008912
Molecular FormulaC11H21BrO
Molecular Weight249.19 g/mol
Exact Mass248.08
IUPAC Name1-(bromomethyl)-1-(4-methylpentan-2-yloxymethyl)cyclopropane
SMILESCC(C)CC(C)OCC1(CBr)CC1
InChIInChI=1S/C11H21BrO/c1-9(2)6-10(3)13-8-11(7-12)4-5-11/h9-10H,4-8H2,1-3H3
InChIKeyMJGQLTKNQILAFD-UHFFFAOYSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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

1-(bromomethyl)-1-(4-methylpentan-2-yloxymethyl)cyclohexane
CID 65001994
1-(bromomethyl)-1-(propan-2-yloxymethyl)cyclobutane
CID 65007526
4-(bromomethyl)-4-(propan-2-yloxymethyl)oxane
CID 65004630
1-(bromomethyl)-1-(2-methylpropoxymethyl)cyclohexane
CID 65001890
1-ethyl-1-(propan-2-yloxymethyl)cyclopropane
CID 157344699
4-(bromomethyl)-4-(3-methylbutoxymethyl)oxane
CID 65004529
2-(3-bromo-2-methylpropoxy)-4-methylpentane
CID 64995821
2-[1-(butan-2-yloxymethyl)cyclopropyl]acetic acid
CID 65496990
1-(bromomethyl)-1-[2-(2-methylpropoxy)ethoxymethyl]cyclohexane
CID 106447437
1-[[1-(bromomethyl)cyclohexyl]methoxy]ethylbenzene
CID 65001891
tert-butyl 3-[[1-(bromomethyl)cyclopropyl]methoxy]azetidine-1-carboxylate
CID 155675607
1-(bromomethyl)-1-(methoxymethyl)cyclobutane
CID 65007363

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-(4-methylpentan-2-yloxymethyl)cyclopropane?
The IUPAC name of 1-(bromomethyl)-1-(4-methylpentan-2-yloxymethyl)cyclopropane (CID 65008912) is 1-(bromomethyl)-1-(4-methylpentan-2-yloxymethyl)cyclopropane.
What is the SMILES notation for 1-(bromomethyl)-1-(4-methylpentan-2-yloxymethyl)cyclopropane?
The canonical SMILES for 1-(bromomethyl)-1-(4-methylpentan-2-yloxymethyl)cyclopropane is CC(C)CC(C)OCC1(CBr)CC1.
What is the InChIKey of 1-(bromomethyl)-1-(4-methylpentan-2-yloxymethyl)cyclopropane?
The InChIKey is MJGQLTKNQILAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrO/c1-9(2)6-10(3)13-8-11(7-12)4-5-11/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-(bromomethyl)-1-(4-methylpentan-2-yloxymethyl)cyclopropane?
1-(bromomethyl)-1-(4-methylpentan-2-yloxymethyl)cyclopropane has a molecular weight of 249.19 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(4-methylpentan-2-yloxymethyl)cyclopropane is sourced from PubChem (CID 65008912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).