2-bromo-4-methyl-1-propan-2-ylcyclohexane

C10H19Br — CID 12847223

IUPAC2-bromo-4-methyl-1-propan-2-ylcyclohexane
SMILESCC1CCC(C(C)C)C(Br)C1
InChIInChI=1S/C10H19Br/c1-7(2)9-5-4-8(3)6-10(9)11/h7-10H,4-6H2,1-3H3
InChIKeyMPVONIMKFUZRQI-UHFFFAOYSA-N
MW219.17 g/mol
LogP3.84
Rot. Bonds1

About 2-bromo-4-methyl-1-propan-2-ylcyclohexane

2-bromo-4-methyl-1-propan-2-ylcyclohexane (PubChem CID 12847223) has the molecular formula C10H19Br and a molecular weight of 219.17 g/mol. Its IUPAC name is 2-bromo-4-methyl-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name2-bromo-4-methyl-1-propan-2-ylcyclohexane
PubChem CID12847223
Molecular FormulaC10H19Br
Molecular Weight219.17 g/mol
Exact Mass218.07
IUPAC Name2-bromo-4-methyl-1-propan-2-ylcyclohexane
SMILESCC1CCC(C(C)C)C(Br)C1
InChIInChI=1S/C10H19Br/c1-7(2)9-5-4-8(3)6-10(9)11/h7-10H,4-6H2,1-3H3
InChIKeyMPVONIMKFUZRQI-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 53.84
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 2-bromo-4-methyl-1-propan-2-ylcyclohexane?
The IUPAC name of 2-bromo-4-methyl-1-propan-2-ylcyclohexane (CID 12847223) is 2-bromo-4-methyl-1-propan-2-ylcyclohexane.
What is the SMILES notation for 2-bromo-4-methyl-1-propan-2-ylcyclohexane?
The canonical SMILES for 2-bromo-4-methyl-1-propan-2-ylcyclohexane is CC1CCC(C(C)C)C(Br)C1.
What is the InChIKey of 2-bromo-4-methyl-1-propan-2-ylcyclohexane?
The InChIKey is MPVONIMKFUZRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Br/c1-7(2)9-5-4-8(3)6-10(9)11/h7-10H,4-6H2,1-3H3.
What are the key properties of 2-bromo-4-methyl-1-propan-2-ylcyclohexane?
2-bromo-4-methyl-1-propan-2-ylcyclohexane has a molecular weight of 219.17 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methyl-1-propan-2-ylcyclohexane is sourced from PubChem (CID 12847223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).