4-tert-butyl-1-ethyl-4H-borinine

C11H19B — CID 140994050

IUPAC4-tert-butyl-1-ethyl-4H-borinine
SMILESCCB1C=CC(C(C)(C)C)C=C1
InChIInChI=1S/C11H19B/c1-5-12-8-6-10(7-9-12)11(2,3)4/h6-10H,5H2,1-4H3
InChIKeyYVIKNSARFCCFMC-UHFFFAOYSA-N
MW162.08 g/mol
LogP3.37
Rot. Bonds1

About 4-tert-butyl-1-ethyl-4H-borinine

4-tert-butyl-1-ethyl-4H-borinine (PubChem CID 140994050) has the molecular formula C11H19B and a molecular weight of 162.08 g/mol. Its IUPAC name is 4-tert-butyl-1-ethyl-4H-borinine.

Molecular Properties

Compound Name4-tert-butyl-1-ethyl-4H-borinine
PubChem CID140994050
Molecular FormulaC11H19B
Molecular Weight162.08 g/mol
Exact Mass162.16
IUPAC Name4-tert-butyl-1-ethyl-4H-borinine
SMILESCCB1C=CC(C(C)(C)C)C=C1
InChIInChI=1S/C11H19B/c1-5-12-8-6-10(7-9-12)11(2,3)4/h6-10H,5H2,1-4H3
InChIKeyYVIKNSARFCCFMC-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.08
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-ethyl-4H-borinine?
The IUPAC name of 4-tert-butyl-1-ethyl-4H-borinine (CID 140994050) is 4-tert-butyl-1-ethyl-4H-borinine.
What is the SMILES notation for 4-tert-butyl-1-ethyl-4H-borinine?
The canonical SMILES for 4-tert-butyl-1-ethyl-4H-borinine is CCB1C=CC(C(C)(C)C)C=C1.
What is the InChIKey of 4-tert-butyl-1-ethyl-4H-borinine?
The InChIKey is YVIKNSARFCCFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19B/c1-5-12-8-6-10(7-9-12)11(2,3)4/h6-10H,5H2,1-4H3.
What are the key properties of 4-tert-butyl-1-ethyl-4H-borinine?
4-tert-butyl-1-ethyl-4H-borinine has a molecular weight of 162.08 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-ethyl-4H-borinine is sourced from PubChem (CID 140994050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).