lithium triisoamylborohydride

C15H33BLi — CID 23672398

IUPAC—
SMILESCC(C)CC[B-](CCC(C)C)CCC(C)C.[Li+]
InChIInChI=1S/C15H33B.Li/c1-13(2)7-10-16(11-8-14(3)4)12-9-15(5)6;/h13-15H,7-12H2,1-6H3;/q-1;+1
InChIKeyOJHRFEFCDDXTLG-UHFFFAOYSA-N
MW231.18 g/mol
LogP2.62
Rot. Bonds9

About lithium triisoamylborohydride

lithium triisoamylborohydride (PubChem CID 23672398) has the molecular formula C15H33BLi and a molecular weight of 231.18 g/mol.

Molecular Properties

Compound Namelithium triisoamylborohydride
PubChem CID23672398
Molecular FormulaC15H33BLi
Molecular Weight231.18 g/mol
Exact Mass231.28
IUPAC Name—
SMILESCC(C)CC[B-](CCC(C)C)CCC(C)C.[Li+]
InChIInChI=1S/C15H33B.Li/c1-13(2)7-10-16(11-8-14(3)4)12-9-15(5)6;/h13-15H,7-12H2,1-6H3;/q-1;+1
InChIKeyOJHRFEFCDDXTLG-UHFFFAOYSA-N
XLogP2.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 52.62
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

Tris(1,2-dimethylpropyl)borane
CID 122587
Potassium hydridotris(3-methylbutan-2-yl)borate(1-)
CID 23676661
Lithium hydridotris(3-methylbutan-2-yl)borate(1-)
CID 5060263
Bis(3-methylbutan-2-yl)boron
CID 6337887
Lithium hydridotris(2-methylpropyl)borate(1-)
CID 23694657
Ks-selectride
CID 4459029
Diisoamylborane
CID 11008130
Triisoamyl boron
CID 12736075
Tris(2-methylbutyl)borane
CID 13691687
Lithium trisiamylborohydride
CID 23679709
Methyl-bis(3-methylbutan-2-yl)borane
CID 57679040
Butyl-bis(3-methylbutan-2-yl)borane
CID 86225483

Frequently Asked Questions

What is the IUPAC name of lithium triisoamylborohydride?
The IUPAC name of lithium triisoamylborohydride (CID 23672398) is not available.
What is the SMILES notation for lithium triisoamylborohydride?
The canonical SMILES for lithium triisoamylborohydride is CC(C)CC[B-](CCC(C)C)CCC(C)C.[Li+].
What is the InChIKey of lithium triisoamylborohydride?
The InChIKey is OJHRFEFCDDXTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33B.Li/c1-13(2)7-10-16(11-8-14(3)4)12-9-15(5)6;/h13-15H,7-12H2,1-6H3;/q-1;+1.
What are the key properties of lithium triisoamylborohydride?
lithium triisoamylborohydride has a molecular weight of 231.18 g/mol, XLogP of 2.62, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium triisoamylborohydride is sourced from PubChem (CID 23672398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).