1-(2,3-dimethylphenyl)-3,3,4,4-tetramethylborolane

C16H25B — CID 174147795

IUPAC1-(2,3-dimethylphenyl)-3,3,4,4-tetramethylborolane
SMILESCc1cccc(B2CC(C)(C)C(C)(C)C2)c1C
InChIInChI=1S/C16H25B/c1-12-8-7-9-14(13(12)2)17-10-15(3,4)16(5,6)11-17/h7-9H,10-11H2,1-6H3
InChIKeyVEVKJZVASYLLSF-UHFFFAOYSA-N
MW228.19 g/mol
LogP4.07
Rot. Bonds1

About 1-(2,3-dimethylphenyl)-3,3,4,4-tetramethylborolane

1-(2,3-dimethylphenyl)-3,3,4,4-tetramethylborolane (PubChem CID 174147795) has the molecular formula C16H25B and a molecular weight of 228.19 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3,3,4,4-tetramethylborolane.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3,3,4,4-tetramethylborolane
PubChem CID174147795
Molecular FormulaC16H25B
Molecular Weight228.19 g/mol
Exact Mass228.20
IUPAC Name1-(2,3-dimethylphenyl)-3,3,4,4-tetramethylborolane
SMILESCc1cccc(B2CC(C)(C)C(C)(C)C2)c1C
InChIInChI=1S/C16H25B/c1-12-8-7-9-14(13(12)2)17-10-15(3,4)16(5,6)11-17/h7-9H,10-11H2,1-6H3
InChIKeyVEVKJZVASYLLSF-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.19
LogP ≤ 54.07
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 1-(2,3-dimethylphenyl)-3,3,4,4-tetramethylborolane?
The IUPAC name of 1-(2,3-dimethylphenyl)-3,3,4,4-tetramethylborolane (CID 174147795) is 1-(2,3-dimethylphenyl)-3,3,4,4-tetramethylborolane.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3,3,4,4-tetramethylborolane?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3,3,4,4-tetramethylborolane is Cc1cccc(B2CC(C)(C)C(C)(C)C2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3,3,4,4-tetramethylborolane?
The InChIKey is VEVKJZVASYLLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25B/c1-12-8-7-9-14(13(12)2)17-10-15(3,4)16(5,6)11-17/h7-9H,10-11H2,1-6H3.
What are the key properties of 1-(2,3-dimethylphenyl)-3,3,4,4-tetramethylborolane?
1-(2,3-dimethylphenyl)-3,3,4,4-tetramethylborolane has a molecular weight of 228.19 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-3,3,4,4-tetramethylborolane is sourced from PubChem (CID 174147795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).