1-(bromomethyl)-4-cyclopentylcyclohexane

C12H21Br — CID 118107760

IUPAC1-(bromomethyl)-4-cyclopentylcyclohexane
SMILESBrCC1CCC(C2CCCC2)CC1
InChIInChI=1S/C12H21Br/c13-9-10-5-7-12(8-6-10)11-3-1-2-4-11/h10-12H,1-9H2
InChIKeyRBLZWLPCMRHHRZ-UHFFFAOYSA-N
MW245.20 g/mol
LogP4.38
Rot. Bonds2

About 1-(bromomethyl)-4-cyclopentylcyclohexane

1-(bromomethyl)-4-cyclopentylcyclohexane (PubChem CID 118107760) has the molecular formula C12H21Br and a molecular weight of 245.20 g/mol. Its IUPAC name is 1-(bromomethyl)-4-cyclopentylcyclohexane.

Molecular Properties

Compound Name1-(bromomethyl)-4-cyclopentylcyclohexane
PubChem CID118107760
Molecular FormulaC12H21Br
Molecular Weight245.20 g/mol
Exact Mass244.08
IUPAC Name1-(bromomethyl)-4-cyclopentylcyclohexane
SMILESBrCC1CCC(C2CCCC2)CC1
InChIInChI=1S/C12H21Br/c13-9-10-5-7-12(8-6-10)11-3-1-2-4-11/h10-12H,1-9H2
InChIKeyRBLZWLPCMRHHRZ-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 54.38
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-(bromomethyl)-4-cyclopentylcyclohexane?
The IUPAC name of 1-(bromomethyl)-4-cyclopentylcyclohexane (CID 118107760) is 1-(bromomethyl)-4-cyclopentylcyclohexane.
What is the SMILES notation for 1-(bromomethyl)-4-cyclopentylcyclohexane?
The canonical SMILES for 1-(bromomethyl)-4-cyclopentylcyclohexane is BrCC1CCC(C2CCCC2)CC1.
What is the InChIKey of 1-(bromomethyl)-4-cyclopentylcyclohexane?
The InChIKey is RBLZWLPCMRHHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21Br/c13-9-10-5-7-12(8-6-10)11-3-1-2-4-11/h10-12H,1-9H2.
What are the key properties of 1-(bromomethyl)-4-cyclopentylcyclohexane?
1-(bromomethyl)-4-cyclopentylcyclohexane has a molecular weight of 245.20 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-4-cyclopentylcyclohexane is sourced from PubChem (CID 118107760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).