4-(2-bromoethyl)-1,1-dimethylcyclohexane

C10H19Br — CID 22289894

IUPAC4-(2-bromoethyl)-1,1-dimethylcyclohexane
SMILESCC1(C)CCC(CCBr)CC1
InChIInChI=1S/C10H19Br/c1-10(2)6-3-9(4-7-10)5-8-11/h9H,3-8H2,1-2H3
InChIKeyJBIYSTLVHILJDJ-UHFFFAOYSA-N
MW219.17 g/mol
LogP3.99
Rot. Bonds2

About 4-(2-bromoethyl)-1,1-dimethylcyclohexane

4-(2-bromoethyl)-1,1-dimethylcyclohexane (PubChem CID 22289894) has the molecular formula C10H19Br and a molecular weight of 219.17 g/mol. Its IUPAC name is 4-(2-bromoethyl)-1,1-dimethylcyclohexane.

Molecular Properties

Compound Name4-(2-bromoethyl)-1,1-dimethylcyclohexane
PubChem CID22289894
Molecular FormulaC10H19Br
Molecular Weight219.17 g/mol
Exact Mass218.07
IUPAC Name4-(2-bromoethyl)-1,1-dimethylcyclohexane
SMILESCC1(C)CCC(CCBr)CC1
InChIInChI=1S/C10H19Br/c1-10(2)6-3-9(4-7-10)5-8-11/h9H,3-8H2,1-2H3
InChIKeyJBIYSTLVHILJDJ-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 4-(2-bromoethyl)-1,1-dimethylcyclohexane?
The IUPAC name of 4-(2-bromoethyl)-1,1-dimethylcyclohexane (CID 22289894) is 4-(2-bromoethyl)-1,1-dimethylcyclohexane.
What is the SMILES notation for 4-(2-bromoethyl)-1,1-dimethylcyclohexane?
The canonical SMILES for 4-(2-bromoethyl)-1,1-dimethylcyclohexane is CC1(C)CCC(CCBr)CC1.
What is the InChIKey of 4-(2-bromoethyl)-1,1-dimethylcyclohexane?
The InChIKey is JBIYSTLVHILJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Br/c1-10(2)6-3-9(4-7-10)5-8-11/h9H,3-8H2,1-2H3.
What are the key properties of 4-(2-bromoethyl)-1,1-dimethylcyclohexane?
4-(2-bromoethyl)-1,1-dimethylcyclohexane 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 4-(2-bromoethyl)-1,1-dimethylcyclohexane is sourced from PubChem (CID 22289894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).