lithium tris(3-methylbutan-2-yl)boranuide

C15H34BLi — CID 5060263

IUPAClithium tris(3-methylbutan-2-yl)boranuide
SMILESCC(C)C(C)[BH-](C(C)C(C)C)C(C)C(C)C.[Li+]
InChIInChI=1S/C15H34B.Li/c1-10(2)13(7)16(14(8)11(3)4)15(9)12(5)6;/h10-16H,1-9H3;/q-1;+1
InChIKeyDGIADQRDWIBVOW-UHFFFAOYSA-N
MW232.19 g/mol
LogP2.36
Rot. Bonds6

About lithium tris(3-methylbutan-2-yl)boranuide

lithium tris(3-methylbutan-2-yl)boranuide (PubChem CID 5060263) has the molecular formula C15H34BLi and a molecular weight of 232.19 g/mol. Its IUPAC name is lithium tris(3-methylbutan-2-yl)boranuide.

Molecular Properties

Compound Namelithium tris(3-methylbutan-2-yl)boranuide
PubChem CID5060263
Molecular FormulaC15H34BLi
Molecular Weight232.19 g/mol
Exact Mass232.29
IUPAC Namelithium tris(3-methylbutan-2-yl)boranuide
SMILESCC(C)C(C)[BH-](C(C)C(C)C)C(C)C(C)C.[Li+]
InChIInChI=1S/C15H34B.Li/c1-10(2)13(7)16(14(8)11(3)4)15(9)12(5)6;/h10-16H,1-9H3;/q-1;+1
InChIKeyDGIADQRDWIBVOW-UHFFFAOYSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 52.36
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 lithium tris(3-methylbutan-2-yl)boranuide?
The IUPAC name of lithium tris(3-methylbutan-2-yl)boranuide (CID 5060263) is lithium tris(3-methylbutan-2-yl)boranuide.
What is the SMILES notation for lithium tris(3-methylbutan-2-yl)boranuide?
The canonical SMILES for lithium tris(3-methylbutan-2-yl)boranuide is CC(C)C(C)[BH-](C(C)C(C)C)C(C)C(C)C.[Li+].
What is the InChIKey of lithium tris(3-methylbutan-2-yl)boranuide?
The InChIKey is DGIADQRDWIBVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34B.Li/c1-10(2)13(7)16(14(8)11(3)4)15(9)12(5)6;/h10-16H,1-9H3;/q-1;+1.
What are the key properties of lithium tris(3-methylbutan-2-yl)boranuide?
lithium tris(3-methylbutan-2-yl)boranuide has a molecular weight of 232.19 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium tris(3-methylbutan-2-yl)boranuide is sourced from PubChem (CID 5060263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).