lithium;di(butan-2-yl)-methylborane;hydride

C9H22BLi — CID 173450477

IUPAClithium;di(butan-2-yl)-methylborane;hydride
SMILESCCC(C)B(C)C(C)CC.[H-].[Li+]
InChIInChI=1S/C9H21B.Li.H/c1-6-8(3)10(5)9(4)7-2;;/h8-9H,6-7H2,1-5H3;;/q;+1;-1
InChIKeyQSPSJNBNQGKAPZ-UHFFFAOYSA-N
MW148.03 g/mol
LogP0.83
Rot. Bonds4

About lithium;di(butan-2-yl)-methylborane;hydride

lithium;di(butan-2-yl)-methylborane;hydride (PubChem CID 173450477) has the molecular formula C9H22BLi and a molecular weight of 148.03 g/mol. Its IUPAC name is lithium;di(butan-2-yl)-methylborane;hydride.

Molecular Properties

Compound Namelithium;di(butan-2-yl)-methylborane;hydride
PubChem CID173450477
Molecular FormulaC9H22BLi
Molecular Weight148.03 g/mol
Exact Mass148.20
IUPAC Namelithium;di(butan-2-yl)-methylborane;hydride
SMILESCCC(C)B(C)C(C)CC.[H-].[Li+]
InChIInChI=1S/C9H21B.Li.H/c1-6-8(3)10(5)9(4)7-2;;/h8-9H,6-7H2,1-5H3;;/q;+1;-1
InChIKeyQSPSJNBNQGKAPZ-UHFFFAOYSA-N
XLogP0.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.03
LogP ≤ 50.83
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

butan-2-yl(methyl)borinic acid
CID 158657908
sodium;hydride;tri(butan-2-yl)borane;hydrate
CID 173077371
[(2S)-butan-2-yl]-dichloroborane
CID 14814926
molecular hydrogen;tri(butan-2-yl)borane
CID 173217286
2-methylbutane
CID 158117812
2-methylbutane
CID 159175971
trilithium;tris(butan-2-olate)
CID 162372928
butan-2-amine;(2R)-butan-2-amine;methane
CID 160926504
mercury(1+);2-methylpropane;iodide
CID 171374754
di(butan-2-yl)silane
CID 123717607
2-methylbutane;nickel
CID 159021520
CID 173057488
CID 173057488

Frequently Asked Questions

What is the IUPAC name of lithium;di(butan-2-yl)-methylborane;hydride?
The IUPAC name of lithium;di(butan-2-yl)-methylborane;hydride (CID 173450477) is lithium;di(butan-2-yl)-methylborane;hydride.
What is the SMILES notation for lithium;di(butan-2-yl)-methylborane;hydride?
The canonical SMILES for lithium;di(butan-2-yl)-methylborane;hydride is CCC(C)B(C)C(C)CC.[H-].[Li+].
What is the InChIKey of lithium;di(butan-2-yl)-methylborane;hydride?
The InChIKey is QSPSJNBNQGKAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21B.Li.H/c1-6-8(3)10(5)9(4)7-2;;/h8-9H,6-7H2,1-5H3;;/q;+1;-1.
What are the key properties of lithium;di(butan-2-yl)-methylborane;hydride?
lithium;di(butan-2-yl)-methylborane;hydride has a molecular weight of 148.03 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;di(butan-2-yl)-methylborane;hydride is sourced from PubChem (CID 173450477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).