1-(1-bromo-2-methylpropan-2-yl)oxyethylcyclohexane

C12H23BrO — CID 165489178

IUPAC1-(1-bromo-2-methylpropan-2-yl)oxyethylcyclohexane
SMILESCC(OC(C)(C)CBr)C1CCCCC1
InChIInChI=1S/C12H23BrO/c1-10(14-12(2,3)9-13)11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3
InChIKeyUBMSPDMFWRRYHB-UHFFFAOYSA-N
MW263.22 g/mol
LogP4.15
Rot. Bonds4

About 1-(1-bromo-2-methylpropan-2-yl)oxyethylcyclohexane

1-(1-bromo-2-methylpropan-2-yl)oxyethylcyclohexane (PubChem CID 165489178) has the molecular formula C12H23BrO and a molecular weight of 263.22 g/mol. Its IUPAC name is 1-(1-bromo-2-methylpropan-2-yl)oxyethylcyclohexane.

Molecular Properties

Compound Name1-(1-bromo-2-methylpropan-2-yl)oxyethylcyclohexane
PubChem CID165489178
Molecular FormulaC12H23BrO
Molecular Weight263.22 g/mol
Exact Mass262.09
IUPAC Name1-(1-bromo-2-methylpropan-2-yl)oxyethylcyclohexane
SMILESCC(OC(C)(C)CBr)C1CCCCC1
InChIInChI=1S/C12H23BrO/c1-10(14-12(2,3)9-13)11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3
InChIKeyUBMSPDMFWRRYHB-UHFFFAOYSA-N
XLogP4.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 54.15
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

2,2-dimethylpropane;propan-2-ylcyclohexane
CID 159663996
1-methoxyethylcyclooctane
CID 58445596
1-(3-methylpentan-3-yloxy)ethylcyclopropane
CID 91010991
[(1S)-1-ethoxyethyl]cyclohexane
CID 59678198
ethane;methane;propan-2-ylcyclohexane
CID 169430642
ethane;propan-2-ylcyclohexane;2,2,3-trimethylpentane
CID 143562850
(3-bromo-2-methylpropyl)cyclohexane
CID 64670797
2-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 84721149
1-bromoethylcyclododecane
CID 66471074
butan-2-ylcyclohexane;ethane
CID 143005290
1-cyclohexyl-N-methylethanamine;ethane
CID 143356514
(1-bromo-5-methoxy-5-methylhexan-2-yl)cyclopentane
CID 103018681

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-2-methylpropan-2-yl)oxyethylcyclohexane?
The IUPAC name of 1-(1-bromo-2-methylpropan-2-yl)oxyethylcyclohexane (CID 165489178) is 1-(1-bromo-2-methylpropan-2-yl)oxyethylcyclohexane.
What is the SMILES notation for 1-(1-bromo-2-methylpropan-2-yl)oxyethylcyclohexane?
The canonical SMILES for 1-(1-bromo-2-methylpropan-2-yl)oxyethylcyclohexane is CC(OC(C)(C)CBr)C1CCCCC1.
What is the InChIKey of 1-(1-bromo-2-methylpropan-2-yl)oxyethylcyclohexane?
The InChIKey is UBMSPDMFWRRYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrO/c1-10(14-12(2,3)9-13)11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-(1-bromo-2-methylpropan-2-yl)oxyethylcyclohexane?
1-(1-bromo-2-methylpropan-2-yl)oxyethylcyclohexane has a molecular weight of 263.22 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-2-methylpropan-2-yl)oxyethylcyclohexane is sourced from PubChem (CID 165489178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).