bromo(dicyclohexyl)borane

C12H22BBr — CID 11010610

IUPACbromo(dicyclohexyl)borane
SMILESBrB(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C12H22BBr/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKeyUOZSSGNHCFMUMW-UHFFFAOYSA-N
MW257.02 g/mol
LogP5.04
Rot. Bonds2

About bromo(dicyclohexyl)borane

bromo(dicyclohexyl)borane (PubChem CID 11010610) has the molecular formula C12H22BBr and a molecular weight of 257.02 g/mol. Its IUPAC name is bromo(dicyclohexyl)borane.

Molecular Properties

Compound Namebromo(dicyclohexyl)borane
PubChem CID11010610
Molecular FormulaC12H22BBr
Molecular Weight257.02 g/mol
Exact Mass256.10
IUPAC Namebromo(dicyclohexyl)borane
SMILESBrB(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C12H22BBr/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKeyUOZSSGNHCFMUMW-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.02
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze bromo(dicyclohexyl)borane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[[bis(dicyclohexylboranyl)amino]-cyclohexylboranyl]cyclohexane
CID 175800188
carbanide;cyclopentane;cyclopentyl(dimethyl)borane;ethane;iron(2+)
CID 162277794
1,2-dibromocyclodecane
CID 73175476
1,2-dibromocyclododecane
CID 13111000
cyclohexylphosphane
CID 13199
bicyclo[5.3.1]undecane
CID 14399147
di(cyclohexadecyl)methylcyclohexadecane
CID 175406938
1,2,5,6,9,10-hexabromocyclooctadecane
CID 101354867
acetonitrile;cyclohexyl(diiodo)borane
CID 11417872
(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678
cyclohexylcycloheptane
CID 524589
cyclononylcycloicosane
CID 123187062

Frequently Asked Questions

What is the IUPAC name of bromo(dicyclohexyl)borane?
The IUPAC name of bromo(dicyclohexyl)borane (CID 11010610) is bromo(dicyclohexyl)borane.
What is the SMILES notation for bromo(dicyclohexyl)borane?
The canonical SMILES for bromo(dicyclohexyl)borane is BrB(C1CCCCC1)C1CCCCC1.
What is the InChIKey of bromo(dicyclohexyl)borane?
The InChIKey is UOZSSGNHCFMUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BBr/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2.
What are the key properties of bromo(dicyclohexyl)borane?
bromo(dicyclohexyl)borane has a molecular weight of 257.02 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo(dicyclohexyl)borane is sourced from PubChem (CID 11010610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).