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

C10H19Br — CID 20648783

IUPAC(1-bromo-2-methylpropan-2-yl)cyclohexane
SMILESCC(C)(CBr)C1CCCCC1
InChIInChI=1S/C10H19Br/c1-10(2,8-11)9-6-4-3-5-7-9/h9H,3-8H2,1-2H3
InChIKeyPDAUYYLTEJXYEI-UHFFFAOYSA-N
MW219.17 g/mol
LogP3.99
Rot. Bonds2

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

(1-bromo-2-methylpropan-2-yl)cyclohexane (PubChem CID 20648783) has the molecular formula C10H19Br and a molecular weight of 219.17 g/mol. Its IUPAC name is (1-bromo-2-methylpropan-2-yl)cyclohexane.

Molecular Properties

Compound Name(1-bromo-2-methylpropan-2-yl)cyclohexane
PubChem CID20648783
Molecular FormulaC10H19Br
Molecular Weight219.17 g/mol
Exact Mass218.07
IUPAC Name(1-bromo-2-methylpropan-2-yl)cyclohexane
SMILESCC(C)(CBr)C1CCCCC1
InChIInChI=1S/C10H19Br/c1-10(2,8-11)9-6-4-3-5-7-9/h9H,3-8H2,1-2H3
InChIKeyPDAUYYLTEJXYEI-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 53.99
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-2-methylpropan-2-yl)cyclohexane?
The IUPAC name of (1-bromo-2-methylpropan-2-yl)cyclohexane (CID 20648783) is (1-bromo-2-methylpropan-2-yl)cyclohexane.
What is the SMILES notation for (1-bromo-2-methylpropan-2-yl)cyclohexane?
The canonical SMILES for (1-bromo-2-methylpropan-2-yl)cyclohexane is CC(C)(CBr)C1CCCCC1.
What is the InChIKey of (1-bromo-2-methylpropan-2-yl)cyclohexane?
The InChIKey is PDAUYYLTEJXYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Br/c1-10(2,8-11)9-6-4-3-5-7-9/h9H,3-8H2,1-2H3.
What are the key properties of (1-bromo-2-methylpropan-2-yl)cyclohexane?
(1-bromo-2-methylpropan-2-yl)cyclohexane has a molecular weight of 219.17 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-2-methylpropan-2-yl)cyclohexane is sourced from PubChem (CID 20648783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).