bromomethylcycloheptane

C8H15Br — CID 23000753

IUPACbromomethylcycloheptane
SMILESBrCC1CCCCCC1
InChIInChI=1S/C8H15Br/c9-7-8-5-3-1-2-4-6-8/h8H,1-7H2
InChIKeyZPGBMJCYYSEZBK-UHFFFAOYSA-N
MW191.11 g/mol
LogP3.35
Rot. Bonds1

About bromomethylcycloheptane

bromomethylcycloheptane (PubChem CID 23000753) has the molecular formula C8H15Br and a molecular weight of 191.11 g/mol. Its IUPAC name is bromomethylcycloheptane.

Molecular Properties

Compound Namebromomethylcycloheptane
PubChem CID23000753
Molecular FormulaC8H15Br
Molecular Weight191.11 g/mol
Exact Mass190.04
IUPAC Namebromomethylcycloheptane
SMILESBrCC1CCCCCC1
InChIInChI=1S/C8H15Br/c9-7-8-5-3-1-2-4-6-8/h8H,1-7H2
InChIKeyZPGBMJCYYSEZBK-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 bromomethylcycloheptane?
The IUPAC name of bromomethylcycloheptane (CID 23000753) is bromomethylcycloheptane.
What is the SMILES notation for bromomethylcycloheptane?
The canonical SMILES for bromomethylcycloheptane is BrCC1CCCCCC1.
What is the InChIKey of bromomethylcycloheptane?
The InChIKey is ZPGBMJCYYSEZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Br/c9-7-8-5-3-1-2-4-6-8/h8H,1-7H2.
What are the key properties of bromomethylcycloheptane?
bromomethylcycloheptane 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 bromomethylcycloheptane is sourced from PubChem (CID 23000753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).