bis(3,5-dimethylphenyl)-ethylborane

C18H23B — CID 90748884

IUPACbis(3,5-dimethylphenyl)-ethylborane
SMILESCCB(c1cc(C)cc(C)c1)c1cc(C)cc(C)c1
InChIInChI=1S/C18H23B/c1-6-19(17-9-13(2)7-14(3)10-17)18-11-15(4)8-16(5)12-18/h7-12H,6H2,1-5H3
InChIKeyXNKABWQQNKYAKL-UHFFFAOYSA-N
MW250.19 g/mol
LogP3.55
Rot. Bonds3

About bis(3,5-dimethylphenyl)-ethylborane

bis(3,5-dimethylphenyl)-ethylborane (PubChem CID 90748884) has the molecular formula C18H23B and a molecular weight of 250.19 g/mol. Its IUPAC name is bis(3,5-dimethylphenyl)-ethylborane.

Molecular Properties

Compound Namebis(3,5-dimethylphenyl)-ethylborane
PubChem CID90748884
Molecular FormulaC18H23B
Molecular Weight250.19 g/mol
Exact Mass250.19
IUPAC Namebis(3,5-dimethylphenyl)-ethylborane
SMILESCCB(c1cc(C)cc(C)c1)c1cc(C)cc(C)c1
InChIInChI=1S/C18H23B/c1-6-19(17-9-13(2)7-14(3)10-17)18-11-15(4)8-16(5)12-18/h7-12H,6H2,1-5H3
InChIKeyXNKABWQQNKYAKL-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 53.55
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 bis(3,5-dimethylphenyl)-ethylborane?
The IUPAC name of bis(3,5-dimethylphenyl)-ethylborane (CID 90748884) is bis(3,5-dimethylphenyl)-ethylborane.
What is the SMILES notation for bis(3,5-dimethylphenyl)-ethylborane?
The canonical SMILES for bis(3,5-dimethylphenyl)-ethylborane is CCB(c1cc(C)cc(C)c1)c1cc(C)cc(C)c1.
What is the InChIKey of bis(3,5-dimethylphenyl)-ethylborane?
The InChIKey is XNKABWQQNKYAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23B/c1-6-19(17-9-13(2)7-14(3)10-17)18-11-15(4)8-16(5)12-18/h7-12H,6H2,1-5H3.
What are the key properties of bis(3,5-dimethylphenyl)-ethylborane?
bis(3,5-dimethylphenyl)-ethylborane has a molecular weight of 250.19 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-dimethylphenyl)-ethylborane is sourced from PubChem (CID 90748884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).