1-(bromomethyl)-1-(2-methylbutan-2-yloxymethyl)cyclohexane

C13H25BrO — CID 65002451

IUPAC1-(bromomethyl)-1-(2-methylbutan-2-yloxymethyl)cyclohexane
SMILESCCC(C)(C)OCC1(CBr)CCCCC1
InChIInChI=1S/C13H25BrO/c1-4-12(2,3)15-11-13(10-14)8-6-5-7-9-13/h4-11H2,1-3H3
InChIKeyJCHZKQDGHAILDV-UHFFFAOYSA-N
MW277.25 g/mol
LogP4.54
Rot. Bonds5

About 1-(bromomethyl)-1-(2-methylbutan-2-yloxymethyl)cyclohexane

1-(bromomethyl)-1-(2-methylbutan-2-yloxymethyl)cyclohexane (PubChem CID 65002451) has the molecular formula C13H25BrO and a molecular weight of 277.25 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(2-methylbutan-2-yloxymethyl)cyclohexane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(2-methylbutan-2-yloxymethyl)cyclohexane
PubChem CID65002451
Molecular FormulaC13H25BrO
Molecular Weight277.25 g/mol
Exact Mass276.11
IUPAC Name1-(bromomethyl)-1-(2-methylbutan-2-yloxymethyl)cyclohexane
SMILESCCC(C)(C)OCC1(CBr)CCCCC1
InChIInChI=1S/C13H25BrO/c1-4-12(2,3)15-11-13(10-14)8-6-5-7-9-13/h4-11H2,1-3H3
InChIKeyJCHZKQDGHAILDV-UHFFFAOYSA-N
XLogP4.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 54.54
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-(2-methylbutan-2-yloxymethyl)cycloheptane
CID 65010010
1-(bromomethyl)-1-(3,3-dimethylbutoxymethyl)cyclohexane
CID 66234060
1-(bromomethyl)-1-(2-ethoxyethoxymethyl)cyclohexane
CID 65001789
N-[[1-(bromomethyl)cycloheptyl]methyl]-N,2-dimethylbutan-2-amine
CID 65007549
1-(bromomethyl)-1-(methoxymethyl)cyclobutane
CID 65007363
1-(bromomethyl)-1-(2-methylpropoxymethyl)cyclohexane
CID 65001890
1,1-bis(bromomethyl)cyclopentane
CID 12651156
1-(bromomethyl)-1-[(2,4,6-trimethylphenoxy)methyl]cycloheptane
CID 65010061
1-[[1-(bromomethyl)cyclohexyl]methoxy]-4-ethylbenzene
CID 65002392
1-(bromomethyl)-1-[(4-ethylphenoxy)methyl]cycloheptane
CID 65010002
1-(bromomethyl)-1-(4-methylpentan-2-yloxymethyl)cyclohexane
CID 65001994
1-(bromomethyl)-1-(2-cyclopropylethoxymethyl)cyclohexane
CID 106201182

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-(2-methylbutan-2-yloxymethyl)cyclohexane?
The IUPAC name of 1-(bromomethyl)-1-(2-methylbutan-2-yloxymethyl)cyclohexane (CID 65002451) is 1-(bromomethyl)-1-(2-methylbutan-2-yloxymethyl)cyclohexane.
What is the SMILES notation for 1-(bromomethyl)-1-(2-methylbutan-2-yloxymethyl)cyclohexane?
The canonical SMILES for 1-(bromomethyl)-1-(2-methylbutan-2-yloxymethyl)cyclohexane is CCC(C)(C)OCC1(CBr)CCCCC1.
What is the InChIKey of 1-(bromomethyl)-1-(2-methylbutan-2-yloxymethyl)cyclohexane?
The InChIKey is JCHZKQDGHAILDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25BrO/c1-4-12(2,3)15-11-13(10-14)8-6-5-7-9-13/h4-11H2,1-3H3.
What are the key properties of 1-(bromomethyl)-1-(2-methylbutan-2-yloxymethyl)cyclohexane?
1-(bromomethyl)-1-(2-methylbutan-2-yloxymethyl)cyclohexane has a molecular weight of 277.25 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(2-methylbutan-2-yloxymethyl)cyclohexane is sourced from PubChem (CID 65002451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).