(1-bromo-2-methylpropyl)cyclohexane

C10H19Br — CID 79299528

IUPAC(1-bromo-2-methylpropyl)cyclohexane
SMILESCC(C)C(Br)C1CCCCC1
InChIInChI=1S/C10H19Br/c1-8(2)10(11)9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3
InChIKeyMROSTGLYKMSTLB-UHFFFAOYSA-N
MW219.17 g/mol
LogP3.99
Rot. Bonds2

About (1-bromo-2-methylpropyl)cyclohexane

(1-bromo-2-methylpropyl)cyclohexane (PubChem CID 79299528) has the molecular formula C10H19Br and a molecular weight of 219.17 g/mol. Its IUPAC name is (1-bromo-2-methylpropyl)cyclohexane.

Molecular Properties

Compound Name(1-bromo-2-methylpropyl)cyclohexane
PubChem CID79299528
Molecular FormulaC10H19Br
Molecular Weight219.17 g/mol
Exact Mass218.07
IUPAC Name(1-bromo-2-methylpropyl)cyclohexane
SMILESCC(C)C(Br)C1CCCCC1
InChIInChI=1S/C10H19Br/c1-8(2)10(11)9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3
InChIKeyMROSTGLYKMSTLB-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-methylpropyl)cyclohexane?
The IUPAC name of (1-bromo-2-methylpropyl)cyclohexane (CID 79299528) is (1-bromo-2-methylpropyl)cyclohexane.
What is the SMILES notation for (1-bromo-2-methylpropyl)cyclohexane?
The canonical SMILES for (1-bromo-2-methylpropyl)cyclohexane is CC(C)C(Br)C1CCCCC1.
What is the InChIKey of (1-bromo-2-methylpropyl)cyclohexane?
The InChIKey is MROSTGLYKMSTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Br/c1-8(2)10(11)9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3.
What are the key properties of (1-bromo-2-methylpropyl)cyclohexane?
(1-bromo-2-methylpropyl)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-methylpropyl)cyclohexane is sourced from PubChem (CID 79299528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).