(2-bromocyclopentyl)cyclohexane

C11H19Br — CID 63511310

IUPAC(2-bromocyclopentyl)cyclohexane
SMILESBrC1CCCC1C1CCCCC1
InChIInChI=1S/C11H19Br/c12-11-8-4-7-10(11)9-5-2-1-3-6-9/h9-11H,1-8H2
InChIKeyDUGATZFKBKIBFA-UHFFFAOYSA-N
MW231.18 g/mol
LogP4.13
Rot. Bonds1

About (2-bromocyclopentyl)cyclohexane

(2-bromocyclopentyl)cyclohexane (PubChem CID 63511310) has the molecular formula C11H19Br and a molecular weight of 231.18 g/mol. Its IUPAC name is (2-bromocyclopentyl)cyclohexane.

Molecular Properties

Compound Name(2-bromocyclopentyl)cyclohexane
PubChem CID63511310
Molecular FormulaC11H19Br
Molecular Weight231.18 g/mol
Exact Mass230.07
IUPAC Name(2-bromocyclopentyl)cyclohexane
SMILESBrC1CCCC1C1CCCCC1
InChIInChI=1S/C11H19Br/c12-11-8-4-7-10(11)9-5-2-1-3-6-9/h9-11H,1-8H2
InChIKeyDUGATZFKBKIBFA-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 54.13
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-bromocyclopentyl)cyclohexane?
The IUPAC name of (2-bromocyclopentyl)cyclohexane (CID 63511310) is (2-bromocyclopentyl)cyclohexane.
What is the SMILES notation for (2-bromocyclopentyl)cyclohexane?
The canonical SMILES for (2-bromocyclopentyl)cyclohexane is BrC1CCCC1C1CCCCC1.
What is the InChIKey of (2-bromocyclopentyl)cyclohexane?
The InChIKey is DUGATZFKBKIBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19Br/c12-11-8-4-7-10(11)9-5-2-1-3-6-9/h9-11H,1-8H2.
What are the key properties of (2-bromocyclopentyl)cyclohexane?
(2-bromocyclopentyl)cyclohexane has a molecular weight of 231.18 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromocyclopentyl)cyclohexane is sourced from PubChem (CID 63511310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).