dichloro(2-methylbutyl)borane

C5H11BCl2 — CID 119096300

IUPACdichloro(2-methylbutyl)borane
SMILESCCC(C)CB(Cl)Cl
InChIInChI=1S/C5H11BCl2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3
InChIKeyASEYSIGOZHNZHP-UHFFFAOYSA-N
MW152.86 g/mol
LogP3.00
Rot. Bonds3

About dichloro(2-methylbutyl)borane

dichloro(2-methylbutyl)borane (PubChem CID 119096300) has the molecular formula C5H11BCl2 and a molecular weight of 152.86 g/mol. Its IUPAC name is dichloro(2-methylbutyl)borane.

Molecular Properties

Compound Namedichloro(2-methylbutyl)borane
PubChem CID119096300
Molecular FormulaC5H11BCl2
Molecular Weight152.86 g/mol
Exact Mass152.03
IUPAC Namedichloro(2-methylbutyl)borane
SMILESCCC(C)CB(Cl)Cl
InChIInChI=1S/C5H11BCl2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3
InChIKeyASEYSIGOZHNZHP-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.86
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dichloro(2-methylbutyl)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

methane;3-methylpentane
CID 157218592
3-methylpentane;hydrate
CID 144914279
methane;3-methylpentane
CID 153359275
3-methylpentane;propane
CID 123266773
ethane;3-methylpentane
CID 91147782
[(2S)-butan-2-yl]-dichloroborane
CID 14814926
2,5-dimethylhexyl-methyl-(2-methylbutyl)borane
CID 123923562
dichloro(2-methylbutyl)alumane
CID 12705539
3,5-dimethylheptane;ethane
CID 172617343
3-(deuteriomethyl)pentane
CID 58682652
chloro-dimethyl-(2-methylbutyl)silane
CID 53422843
chloro-bis(2-methylbutyl)alumane
CID 12705533

Frequently Asked Questions

What is the IUPAC name of dichloro(2-methylbutyl)borane?
The IUPAC name of dichloro(2-methylbutyl)borane (CID 119096300) is dichloro(2-methylbutyl)borane.
What is the SMILES notation for dichloro(2-methylbutyl)borane?
The canonical SMILES for dichloro(2-methylbutyl)borane is CCC(C)CB(Cl)Cl.
What is the InChIKey of dichloro(2-methylbutyl)borane?
The InChIKey is ASEYSIGOZHNZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11BCl2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3.
What are the key properties of dichloro(2-methylbutyl)borane?
dichloro(2-methylbutyl)borane has a molecular weight of 152.86 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(2-methylbutyl)borane is sourced from PubChem (CID 119096300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).