(3-bromocyclopentyl)cycloheptane

C12H21Br — CID 82925250

IUPAC(3-bromocyclopentyl)cycloheptane
SMILESBrC1CCC(C2CCCCCC2)C1
InChIInChI=1S/C12H21Br/c13-12-8-7-11(9-12)10-5-3-1-2-4-6-10/h10-12H,1-9H2
InChIKeyWUYDVEZKRKSNIP-UHFFFAOYSA-N
MW245.20 g/mol
LogP4.52
Rot. Bonds1

About (3-bromocyclopentyl)cycloheptane

(3-bromocyclopentyl)cycloheptane (PubChem CID 82925250) has the molecular formula C12H21Br and a molecular weight of 245.20 g/mol. Its IUPAC name is (3-bromocyclopentyl)cycloheptane.

Molecular Properties

Compound Name(3-bromocyclopentyl)cycloheptane
PubChem CID82925250
Molecular FormulaC12H21Br
Molecular Weight245.20 g/mol
Exact Mass244.08
IUPAC Name(3-bromocyclopentyl)cycloheptane
SMILESBrC1CCC(C2CCCCCC2)C1
InChIInChI=1S/C12H21Br/c13-12-8-7-11(9-12)10-5-3-1-2-4-6-10/h10-12H,1-9H2
InChIKeyWUYDVEZKRKSNIP-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 54.52
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 (3-bromocyclopentyl)cycloheptane?
The IUPAC name of (3-bromocyclopentyl)cycloheptane (CID 82925250) is (3-bromocyclopentyl)cycloheptane.
What is the SMILES notation for (3-bromocyclopentyl)cycloheptane?
The canonical SMILES for (3-bromocyclopentyl)cycloheptane is BrC1CCC(C2CCCCCC2)C1.
What is the InChIKey of (3-bromocyclopentyl)cycloheptane?
The InChIKey is WUYDVEZKRKSNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21Br/c13-12-8-7-11(9-12)10-5-3-1-2-4-6-10/h10-12H,1-9H2.
What are the key properties of (3-bromocyclopentyl)cycloheptane?
(3-bromocyclopentyl)cycloheptane has a molecular weight of 245.20 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromocyclopentyl)cycloheptane is sourced from PubChem (CID 82925250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).