(3,5-dimethylphenyl)-dimethylborane

C10H15B — CID 67978446

IUPAC(3,5-dimethylphenyl)-dimethylborane
SMILESCB(C)c1cc(C)cc(C)c1
InChIInChI=1S/C10H15B/c1-8-5-9(2)7-10(6-8)11(3)4/h5-7H,1-4H3
InChIKeyOQOAIZFSEQMINQ-UHFFFAOYSA-N
MW146.04 g/mol
LogP2.26
Rot. Bonds1

About (3,5-dimethylphenyl)-dimethylborane

(3,5-dimethylphenyl)-dimethylborane (PubChem CID 67978446) has the molecular formula C10H15B and a molecular weight of 146.04 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-dimethylborane.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-dimethylborane
PubChem CID67978446
Molecular FormulaC10H15B
Molecular Weight146.04 g/mol
Exact Mass146.13
IUPAC Name(3,5-dimethylphenyl)-dimethylborane
SMILESCB(C)c1cc(C)cc(C)c1
InChIInChI=1S/C10H15B/c1-8-5-9(2)7-10(6-8)11(3)4/h5-7H,1-4H3
InChIKeyOQOAIZFSEQMINQ-UHFFFAOYSA-N
XLogP2.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.04
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-dimethylborane?
The IUPAC name of (3,5-dimethylphenyl)-dimethylborane (CID 67978446) is (3,5-dimethylphenyl)-dimethylborane.
What is the SMILES notation for (3,5-dimethylphenyl)-dimethylborane?
The canonical SMILES for (3,5-dimethylphenyl)-dimethylborane is CB(C)c1cc(C)cc(C)c1.
What is the InChIKey of (3,5-dimethylphenyl)-dimethylborane?
The InChIKey is OQOAIZFSEQMINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15B/c1-8-5-9(2)7-10(6-8)11(3)4/h5-7H,1-4H3.
What are the key properties of (3,5-dimethylphenyl)-dimethylborane?
(3,5-dimethylphenyl)-dimethylborane has a molecular weight of 146.04 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-dimethylborane is sourced from PubChem (CID 67978446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).