1-bromo-2-(2-methylpropoxy)cyclohexane

C10H19BrO — CID 62111426

IUPAC1-bromo-2-(2-methylpropoxy)cyclohexane
SMILESCC(C)COC1CCCCC1Br
InChIInChI=1S/C10H19BrO/c1-8(2)7-12-10-6-4-3-5-9(10)11/h8-10H,3-7H2,1-2H3
InChIKeyLYMASTGKGPKOMB-UHFFFAOYSA-N
MW235.16 g/mol
LogP3.37
Rot. Bonds3

About 1-bromo-2-(2-methylpropoxy)cyclohexane

1-bromo-2-(2-methylpropoxy)cyclohexane (PubChem CID 62111426) has the molecular formula C10H19BrO and a molecular weight of 235.16 g/mol. Its IUPAC name is 1-bromo-2-(2-methylpropoxy)cyclohexane.

Molecular Properties

Compound Name1-bromo-2-(2-methylpropoxy)cyclohexane
PubChem CID62111426
Molecular FormulaC10H19BrO
Molecular Weight235.16 g/mol
Exact Mass234.06
IUPAC Name1-bromo-2-(2-methylpropoxy)cyclohexane
SMILESCC(C)COC1CCCCC1Br
InChIInChI=1S/C10H19BrO/c1-8(2)7-12-10-6-4-3-5-9(10)11/h8-10H,3-7H2,1-2H3
InChIKeyLYMASTGKGPKOMB-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
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-bromo-2-(2-methylpentoxy)cyclohexane
CID 103285067
1-bromo-2-(3-methylbutoxy)cyclooctane
CID 114772941
1-bromo-2-(2-methoxy-3-methylbutoxy)cyclopentane
CID 165487792
1-bromo-2-(2-propan-2-yloxyethoxy)cyclohexane
CID 62109249
1-bromo-2-(4-methylpentoxy)cyclopentane
CID 62109918
1-bromo-2-(1-ethoxypropan-2-yloxy)cycloheptane
CID 103490059
1-bromo-2-(3,3-dimethylbutoxy)cycloheptane
CID 66227351
(2-bromocyclopentyl)oxymethylcyclohexane
CID 62384212
1-bromo-2-(2,2,2-trifluoroethoxy)cyclohexane
CID 62110594
1-bromo-2-(1-cyclopropylethoxy)cycloheptane
CID 165489835
1-(2-bromocyclopentyl)oxy-N-methylmethanamine
CID 171766461
1-bromo-2-(2-propoxyethoxy)cyclooctane
CID 114774148

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(2-methylpropoxy)cyclohexane?
The IUPAC name of 1-bromo-2-(2-methylpropoxy)cyclohexane (CID 62111426) is 1-bromo-2-(2-methylpropoxy)cyclohexane.
What is the SMILES notation for 1-bromo-2-(2-methylpropoxy)cyclohexane?
The canonical SMILES for 1-bromo-2-(2-methylpropoxy)cyclohexane is CC(C)COC1CCCCC1Br.
What is the InChIKey of 1-bromo-2-(2-methylpropoxy)cyclohexane?
The InChIKey is LYMASTGKGPKOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrO/c1-8(2)7-12-10-6-4-3-5-9(10)11/h8-10H,3-7H2,1-2H3.
What are the key properties of 1-bromo-2-(2-methylpropoxy)cyclohexane?
1-bromo-2-(2-methylpropoxy)cyclohexane has a molecular weight of 235.16 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(2-methylpropoxy)cyclohexane is sourced from PubChem (CID 62111426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).