Lithium trisiamylborohydride

C15H33BLi — CID 23679709

IUPAC—
SMILESCC(C)C(C)[B-](C(C)C(C)C)C(C)C(C)C.[Li+]
InChIInChI=1S/C15H33B.Li/c1-10(2)13(7)16(14(8)11(3)4)15(9)12(5)6;/h10-15H,1-9H3;/q-1;+1
InChIKeyMRVNICVEIPIESV-UHFFFAOYSA-N
MW231.18 g/mol
LogP2.62
Rot. Bonds6

About Lithium trisiamylborohydride

Lithium trisiamylborohydride (PubChem CID 23679709) has the molecular formula C15H33BLi and a molecular weight of 231.18 g/mol.

Molecular Properties

Compound NameLithium trisiamylborohydride
PubChem CID23679709
Molecular FormulaC15H33BLi
Molecular Weight231.18 g/mol
Exact Mass231.28
IUPAC Name—
SMILESCC(C)C(C)[B-](C(C)C(C)C)C(C)C(C)C.[Li+]
InChIInChI=1S/C15H33B.Li/c1-10(2)13(7)16(14(8)11(3)4)15(9)12(5)6;/h10-15H,1-9H3;/q-1;+1
InChIKeyMRVNICVEIPIESV-UHFFFAOYSA-N
XLogP2.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
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 triisoamylborohydride
CID 23672398
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 trisiamylborohydride?
The IUPAC name of Lithium trisiamylborohydride (CID 23679709) is not available.
What is the SMILES notation for Lithium trisiamylborohydride?
The canonical SMILES for Lithium trisiamylborohydride is CC(C)C(C)[B-](C(C)C(C)C)C(C)C(C)C.[Li+].
What is the InChIKey of Lithium trisiamylborohydride?
The InChIKey is MRVNICVEIPIESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33B.Li/c1-10(2)13(7)16(14(8)11(3)4)15(9)12(5)6;/h10-15H,1-9H3;/q-1;+1.
What are the key properties of Lithium trisiamylborohydride?
Lithium trisiamylborohydride has a molecular weight of 231.18 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Lithium trisiamylborohydride is sourced from PubChem (CID 23679709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).