1-(bromomethyl)-4-propan-2-ylcyclohexane

C10H19Br — CID 66469852

IUPAC1-(bromomethyl)-4-propan-2-ylcyclohexane
SMILESCC(C)C1CCC(CBr)CC1
InChIInChI=1S/C10H19Br/c1-8(2)10-5-3-9(7-11)4-6-10/h8-10H,3-7H2,1-2H3
InChIKeySLGIPQIZUHYPMB-UHFFFAOYSA-N
MW219.17 g/mol
LogP3.84
Rot. Bonds2

About 1-(bromomethyl)-4-propan-2-ylcyclohexane

1-(bromomethyl)-4-propan-2-ylcyclohexane (PubChem CID 66469852) has the molecular formula C10H19Br and a molecular weight of 219.17 g/mol. Its IUPAC name is 1-(bromomethyl)-4-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1-(bromomethyl)-4-propan-2-ylcyclohexane
PubChem CID66469852
Molecular FormulaC10H19Br
Molecular Weight219.17 g/mol
Exact Mass218.07
IUPAC Name1-(bromomethyl)-4-propan-2-ylcyclohexane
SMILESCC(C)C1CCC(CBr)CC1
InChIInChI=1S/C10H19Br/c1-8(2)10-5-3-9(7-11)4-6-10/h8-10H,3-7H2,1-2H3
InChIKeySLGIPQIZUHYPMB-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-(bromomethyl)-4-propan-2-ylcyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-4-propan-2-ylcyclohexane?
The IUPAC name of 1-(bromomethyl)-4-propan-2-ylcyclohexane (CID 66469852) is 1-(bromomethyl)-4-propan-2-ylcyclohexane.
What is the SMILES notation for 1-(bromomethyl)-4-propan-2-ylcyclohexane?
The canonical SMILES for 1-(bromomethyl)-4-propan-2-ylcyclohexane is CC(C)C1CCC(CBr)CC1.
What is the InChIKey of 1-(bromomethyl)-4-propan-2-ylcyclohexane?
The InChIKey is SLGIPQIZUHYPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Br/c1-8(2)10-5-3-9(7-11)4-6-10/h8-10H,3-7H2,1-2H3.
What are the key properties of 1-(bromomethyl)-4-propan-2-ylcyclohexane?
1-(bromomethyl)-4-propan-2-ylcyclohexane has a molecular weight of 219.17 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-4-propan-2-ylcyclohexane is sourced from PubChem (CID 66469852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).