1-bromo-4-tert-butyl-1-methylcyclohexane

C11H21Br — CID 15169230

IUPAC1-bromo-4-tert-butyl-1-methylcyclohexane
SMILESCC1(Br)CCC(C(C)(C)C)CC1
InChIInChI=1S/C11H21Br/c1-10(2,3)9-5-7-11(4,12)8-6-9/h9H,5-8H2,1-4H3
InChIKeyOURANNZNSSCGAJ-UHFFFAOYSA-N
MW233.19 g/mol
LogP4.38
Rot. Bonds

About 1-bromo-4-tert-butyl-1-methylcyclohexane

1-bromo-4-tert-butyl-1-methylcyclohexane (PubChem CID 15169230) has the molecular formula C11H21Br and a molecular weight of 233.19 g/mol. Its IUPAC name is 1-bromo-4-tert-butyl-1-methylcyclohexane.

Molecular Properties

Compound Name1-bromo-4-tert-butyl-1-methylcyclohexane
PubChem CID15169230
Molecular FormulaC11H21Br
Molecular Weight233.19 g/mol
Exact Mass232.08
IUPAC Name1-bromo-4-tert-butyl-1-methylcyclohexane
SMILESCC1(Br)CCC(C(C)(C)C)CC1
InChIInChI=1S/C11H21Br/c1-10(2,3)9-5-7-11(4,12)8-6-9/h9H,5-8H2,1-4H3
InChIKeyOURANNZNSSCGAJ-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-bromo-4-tert-butyl-1-methylcyclohexane?
The IUPAC name of 1-bromo-4-tert-butyl-1-methylcyclohexane (CID 15169230) is 1-bromo-4-tert-butyl-1-methylcyclohexane.
What is the SMILES notation for 1-bromo-4-tert-butyl-1-methylcyclohexane?
The canonical SMILES for 1-bromo-4-tert-butyl-1-methylcyclohexane is CC1(Br)CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-bromo-4-tert-butyl-1-methylcyclohexane?
The InChIKey is OURANNZNSSCGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Br/c1-10(2,3)9-5-7-11(4,12)8-6-9/h9H,5-8H2,1-4H3.
What are the key properties of 1-bromo-4-tert-butyl-1-methylcyclohexane?
1-bromo-4-tert-butyl-1-methylcyclohexane has a molecular weight of 233.19 g/mol, XLogP of 4.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-tert-butyl-1-methylcyclohexane is sourced from PubChem (CID 15169230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).