bromo(dipentyl)borane

C10H22BBr — CID 12703134

IUPACbromo(dipentyl)borane
SMILESCCCCCB(Br)CCCCC
InChIInChI=1S/C10H22BBr/c1-3-5-7-9-11(12)10-8-6-4-2/h3-10H2,1-2H3
InChIKeyCZILXUJBQGJWPO-UHFFFAOYSA-N
MW233.00 g/mol
LogP4.75
Rot. Bonds8

About bromo(dipentyl)borane

bromo(dipentyl)borane (PubChem CID 12703134) has the molecular formula C10H22BBr and a molecular weight of 233.00 g/mol. Its IUPAC name is bromo(dipentyl)borane.

Molecular Properties

Compound Namebromo(dipentyl)borane
PubChem CID12703134
Molecular FormulaC10H22BBr
Molecular Weight233.00 g/mol
Exact Mass232.10
IUPAC Namebromo(dipentyl)borane
SMILESCCCCCB(Br)CCCCC
InChIInChI=1S/C10H22BBr/c1-3-5-7-9-11(12)10-8-6-4-2/h3-10H2,1-2H3
InChIKeyCZILXUJBQGJWPO-UHFFFAOYSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.00
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bromo-(2-butyl-3-octylundec-2-enyl)-octylborane
CID 135048100
tri(nonyl)borane
CID 12793706
heptyl(dimethyl)borane
CID 123843147
acetylene;heptane;hexane
CID 173326274
tetradecylboronic acid
CID 3528229
octadecylboronic acid
CID 521161
hexane;tungsten
CID 162105258
azane;hexane
CID 18428977
triacontane
CID 12535
dictane
CID 19848341
hexane;molybdenum
CID 162092649
hexane;tetrahydrate
CID 174107213

Frequently Asked Questions

What is the IUPAC name of bromo(dipentyl)borane?
The IUPAC name of bromo(dipentyl)borane (CID 12703134) is bromo(dipentyl)borane.
What is the SMILES notation for bromo(dipentyl)borane?
The canonical SMILES for bromo(dipentyl)borane is CCCCCB(Br)CCCCC.
What is the InChIKey of bromo(dipentyl)borane?
The InChIKey is CZILXUJBQGJWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22BBr/c1-3-5-7-9-11(12)10-8-6-4-2/h3-10H2,1-2H3.
What are the key properties of bromo(dipentyl)borane?
bromo(dipentyl)borane has a molecular weight of 233.00 g/mol, XLogP of 4.75, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo(dipentyl)borane is sourced from PubChem (CID 12703134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).