dimethyl-(2,3,4,5,6-pentamethylphenyl)borane

C13H21B — CID 59944476

IUPACdimethyl-(2,3,4,5,6-pentamethylphenyl)borane
SMILESCB(C)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C13H21B/c1-8-9(2)11(4)13(14(6)7)12(5)10(8)3/h1-7H3
InChIKeyWNQWGNUSHNBKNR-UHFFFAOYSA-N
MW188.12 g/mol
LogP3.19
Rot. Bonds1

About dimethyl-(2,3,4,5,6-pentamethylphenyl)borane

dimethyl-(2,3,4,5,6-pentamethylphenyl)borane (PubChem CID 59944476) has the molecular formula C13H21B and a molecular weight of 188.12 g/mol. Its IUPAC name is dimethyl-(2,3,4,5,6-pentamethylphenyl)borane.

Molecular Properties

Compound Namedimethyl-(2,3,4,5,6-pentamethylphenyl)borane
PubChem CID59944476
Molecular FormulaC13H21B
Molecular Weight188.12 g/mol
Exact Mass188.17
IUPAC Namedimethyl-(2,3,4,5,6-pentamethylphenyl)borane
SMILESCB(C)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C13H21B/c1-8-9(2)11(4)13(14(6)7)12(5)10(8)3/h1-7H3
InChIKeyWNQWGNUSHNBKNR-UHFFFAOYSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.12
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dimethyl-(2,3,4,5,6-pentamethylphenyl)borane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl-(2,3,4,5,6-pentamethylphenyl)borane?
The IUPAC name of dimethyl-(2,3,4,5,6-pentamethylphenyl)borane (CID 59944476) is dimethyl-(2,3,4,5,6-pentamethylphenyl)borane.
What is the SMILES notation for dimethyl-(2,3,4,5,6-pentamethylphenyl)borane?
The canonical SMILES for dimethyl-(2,3,4,5,6-pentamethylphenyl)borane is CB(C)c1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of dimethyl-(2,3,4,5,6-pentamethylphenyl)borane?
The InChIKey is WNQWGNUSHNBKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21B/c1-8-9(2)11(4)13(14(6)7)12(5)10(8)3/h1-7H3.
What are the key properties of dimethyl-(2,3,4,5,6-pentamethylphenyl)borane?
dimethyl-(2,3,4,5,6-pentamethylphenyl)borane has a molecular weight of 188.12 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2,3,4,5,6-pentamethylphenyl)borane is sourced from PubChem (CID 59944476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).