1-bromoethylcyclohexane

C8H15Br — CID 12939506

IUPAC1-bromoethylcyclohexane
SMILESCC(Br)C1CCCCC1
InChIInChI=1S/C8H15Br/c1-7(9)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3
InChIKeyDYGXAQIAUFEJTH-UHFFFAOYSA-N
MW191.11 g/mol
LogP3.35
Rot. Bonds1

About 1-bromoethylcyclohexane

1-bromoethylcyclohexane (PubChem CID 12939506) has the molecular formula C8H15Br and a molecular weight of 191.11 g/mol. Its IUPAC name is 1-bromoethylcyclohexane.

Molecular Properties

Compound Name1-bromoethylcyclohexane
PubChem CID12939506
Molecular FormulaC8H15Br
Molecular Weight191.11 g/mol
Exact Mass190.04
IUPAC Name1-bromoethylcyclohexane
SMILESCC(Br)C1CCCCC1
InChIInChI=1S/C8H15Br/c1-7(9)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3
InChIKeyDYGXAQIAUFEJTH-UHFFFAOYSA-N
XLogP3.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.11
LogP ≤ 53.35
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-bromoethylcyclohexane?
The IUPAC name of 1-bromoethylcyclohexane (CID 12939506) is 1-bromoethylcyclohexane.
What is the SMILES notation for 1-bromoethylcyclohexane?
The canonical SMILES for 1-bromoethylcyclohexane is CC(Br)C1CCCCC1.
What is the InChIKey of 1-bromoethylcyclohexane?
The InChIKey is DYGXAQIAUFEJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Br/c1-7(9)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3.
What are the key properties of 1-bromoethylcyclohexane?
1-bromoethylcyclohexane has a molecular weight of 191.11 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromoethylcyclohexane is sourced from PubChem (CID 12939506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).