6-tert-butylpentaborinine

C5H9B5 — CID 166568389

IUPAC6-tert-butylpentaborinine
SMILESCC(C)(C)c1bbbbb1
InChIInChI=1S/C5H9B5/c1-5(2,3)4-6-8-10-9-7-4/h1-3H3
InChIKeyLUOISGZDUSQPHE-UHFFFAOYSA-N
MW123.19 g/mol
LogP-0.33
Rot. Bonds

About 6-tert-butylpentaborinine

6-tert-butylpentaborinine (PubChem CID 166568389) has the molecular formula C5H9B5 and a molecular weight of 123.19 g/mol. Its IUPAC name is 6-tert-butylpentaborinine.

Molecular Properties

Compound Name6-tert-butylpentaborinine
PubChem CID166568389
Molecular FormulaC5H9B5
Molecular Weight123.19 g/mol
Exact Mass124.12
IUPAC Name6-tert-butylpentaborinine
SMILESCC(C)(C)c1bbbbb1
InChIInChI=1S/C5H9B5/c1-5(2,3)4-6-8-10-9-7-4/h1-3H3
InChIKeyLUOISGZDUSQPHE-UHFFFAOYSA-N
XLogP-0.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.19
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butylpentaborinine?
The IUPAC name of 6-tert-butylpentaborinine (CID 166568389) is 6-tert-butylpentaborinine.
What is the SMILES notation for 6-tert-butylpentaborinine?
The canonical SMILES for 6-tert-butylpentaborinine is CC(C)(C)c1bbbbb1.
What is the InChIKey of 6-tert-butylpentaborinine?
The InChIKey is LUOISGZDUSQPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9B5/c1-5(2,3)4-6-8-10-9-7-4/h1-3H3.
What are the key properties of 6-tert-butylpentaborinine?
6-tert-butylpentaborinine has a molecular weight of 123.19 g/mol, XLogP of -0.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylpentaborinine is sourced from PubChem (CID 166568389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).